REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2bs4_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKVQYCDSLV IGGGLAGLRA AVATQQKGLS TIVLSLIPVK RSHSAAAQGG DATA SEQUENCE MQASLGNSKM SDGDNEDLHF MDTVKGSDWG CDQKVARMFV NTAPKAIREL DATA SEQUENCE AAWGVPWTRI HKGDRMAIIN AQKTTITEED FRHGLIHSRD FGGTKKWRTC DATA SEQUENCE YTADATGHTM LFAVANECLK LGVSIQDRKE AIALIHQDGK CYGAVVRDLV DATA SEQUENCE TGDIIAYVAK GTLIATGGYG RIYKNTTNAV VCEGTGTAIA LETGIAQLGN DATA SEQUENCE MEAVQFHPTP LFPSGILLTE GCRGDGGILR DVDGHRFMPD YEPEKKELAS DATA SEQUENCE RDVVSRRMIE HIRKGKGVQS PYGQHLWLDI SILGRKHIET NLRDVQEICE DATA SEQUENCE YFAGIDPAEK WAPVLPMQHY SMGGIRTDYR GEAKLKGLFS AGEAACWDMH DATA SEQUENCE GFNRLGGNSV SEAVVAGMIV GEYFAEHCAN TQVDLETKTL EKFVKGQEAY DATA SEQUENCE MKSLVESKGT EDVFKIKNRM KDVMDDNVGI FRDGPHLEKA VKELEELYKK DATA SEQUENCE SKNVGIKNKR LHANPELEEA YRVPMMLKVA LCVAKGALDR TESRGAHNRE DATA SEQUENCE DYPKRDDINW LNRTLASWPN PEQTLPTLEY EALDVNEMEI APGYRGYGAK DATA SEQUENCE GNYIENPLSV KRQEEIDKIQ SELEAAGKDR HAIQEALMPY ELPAKYKARN DATA SEQUENCE ERLGDK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.605 32.600 0.007 0.000 1.302 2 K N 2.576 122.969 120.400 -0.010 0.000 2.213 2 K HA 0.753 5.093 4.320 0.033 0.000 0.270 2 K C -1.473 175.092 176.600 -0.058 0.000 1.002 2 K CA -0.337 55.930 56.287 -0.034 0.000 0.868 2 K CB 2.001 34.483 32.500 -0.031 0.000 1.093 2 K HN 0.407 nan 8.250 nan 0.000 0.454 3 V N 3.456 123.323 119.914 -0.079 0.000 2.638 3 V HA 0.378 4.518 4.120 0.033 0.000 0.306 3 V C -0.854 175.148 176.094 -0.153 0.000 1.052 3 V CA -0.973 61.267 62.300 -0.099 0.000 0.885 3 V CB 1.926 33.729 31.823 -0.034 0.000 0.999 3 V HN 0.590 nan 8.190 nan 0.000 0.424 4 Q N 2.955 122.586 119.800 -0.281 0.000 2.340 4 Q HA 0.506 4.866 4.340 0.033 0.000 0.268 4 Q C -1.678 174.259 176.000 -0.106 0.000 1.031 4 Q CA -0.572 55.051 55.803 -0.300 0.000 0.804 4 Q CB 3.191 31.465 28.738 -0.772 0.000 1.286 4 Q HN 0.784 nan 8.270 nan 0.000 0.448 5 Y N 1.966 122.212 120.300 -0.091 0.000 2.446 5 Y HA 0.594 5.163 4.550 0.033 0.000 0.345 5 Y C -0.825 175.084 175.900 0.014 0.000 0.984 5 Y CA -0.828 57.261 58.100 -0.019 0.000 1.058 5 Y CB 1.151 39.597 38.460 -0.022 0.000 1.220 5 Y HN 0.822 nan 8.280 nan 0.000 0.455 6 C N 3.332 122.087 119.300 -0.908 0.000 3.239 6 C HA 0.454 4.933 4.460 0.033 0.000 0.317 6 C C 0.338 174.841 174.990 -0.811 0.000 1.310 6 C CA -0.686 58.009 59.018 -0.537 0.000 1.371 6 C CB 1.579 29.221 27.740 -0.164 0.000 1.714 6 C HN 0.885 nan 8.230 nan 0.000 0.473 7 D N 1.141 121.340 120.400 -0.336 0.000 2.123 7 D HA 0.019 4.679 4.640 0.033 0.000 0.200 7 D C 0.451 176.632 176.300 -0.199 0.000 0.976 7 D CA 1.450 55.326 54.000 -0.206 0.000 0.831 7 D CB 0.137 40.898 40.800 -0.065 0.000 0.974 7 D HN 0.672 nan 8.370 nan 0.000 0.469 8 S N 0.704 116.310 115.700 -0.156 0.000 2.640 8 S HA 0.372 4.861 4.470 0.033 0.000 0.320 8 S C -0.560 174.088 174.600 0.080 0.000 1.097 8 S CA -0.731 57.417 58.200 -0.086 0.000 1.092 8 S CB 2.043 65.129 63.200 -0.189 0.000 0.988 8 S HN 0.041 nan 8.310 nan 0.000 0.470 9 L N 4.944 126.268 121.223 0.168 0.000 2.275 9 L HA 0.641 5.001 4.340 0.033 0.000 0.288 9 L C -0.993 175.942 176.870 0.107 0.000 1.046 9 L CA -0.243 54.663 54.840 0.110 0.000 0.805 9 L CB 1.027 43.132 42.059 0.077 0.000 1.193 9 L HN 0.441 nan 8.230 nan 0.000 0.426 10 V N 6.748 126.679 119.914 0.029 0.000 2.378 10 V HA 0.413 4.553 4.120 0.033 0.000 0.288 10 V C -0.159 175.888 176.094 -0.079 0.000 1.016 10 V CA -0.605 61.672 62.300 -0.039 0.000 0.840 10 V CB 1.569 33.382 31.823 -0.018 0.000 0.994 10 V HN 0.493 nan 8.190 nan 0.000 0.431 11 I N 4.641 125.151 120.570 -0.100 0.000 2.291 11 I HA 0.707 4.897 4.170 0.033 0.000 0.290 11 I C 0.744 176.809 176.117 -0.087 0.000 1.050 11 I CA 0.169 61.408 61.300 -0.100 0.000 1.245 11 I CB 0.305 38.248 38.000 -0.096 0.000 1.405 11 I HN 0.865 nan 8.210 nan 0.000 0.478 12 G N 3.870 112.625 108.800 -0.074 0.000 3.101 12 G HA2 0.130 4.110 3.960 0.033 0.000 0.672 12 G HA3 0.130 4.110 3.960 0.033 0.000 0.672 12 G C -0.065 174.807 174.900 -0.048 0.000 1.331 12 G CA -0.543 44.523 45.100 -0.057 0.000 0.925 12 G HN 0.902 nan 8.290 nan 0.000 0.596 13 G N 0.443 109.221 108.800 -0.036 0.000 4.098 13 G HA2 0.674 4.654 3.960 0.033 0.000 0.300 13 G HA3 0.674 4.654 3.960 0.033 0.000 0.300 13 G C 0.792 175.683 174.900 -0.016 0.000 1.187 13 G CA 0.924 46.005 45.100 -0.030 0.000 0.964 13 G HN 1.223 nan 8.290 nan 0.000 0.559 14 G N -0.443 108.353 108.800 -0.007 0.000 2.606 14 G HA2 0.392 4.372 3.960 0.033 0.000 0.262 14 G HA3 0.392 4.372 3.960 0.033 0.000 0.262 14 G C 1.137 176.047 174.900 0.017 0.000 1.394 14 G CA -0.721 44.386 45.100 0.012 0.000 1.044 14 G HN 0.129 nan 8.290 nan 0.000 0.553 15 L N -0.031 121.211 121.223 0.033 0.000 2.012 15 L HA -0.145 4.215 4.340 0.033 0.000 0.210 15 L C 3.342 180.234 176.870 0.036 0.000 1.073 15 L CA 1.682 56.550 54.840 0.048 0.000 0.748 15 L CB -0.431 41.665 42.059 0.063 0.000 0.891 15 L HN 0.575 nan 8.230 nan 0.000 0.431 16 A N -0.039 122.789 122.820 0.012 0.000 1.898 16 A HA -0.094 4.246 4.320 0.033 0.000 0.216 16 A C 2.371 179.934 177.584 -0.035 0.000 1.181 16 A CA 1.644 53.669 52.037 -0.021 0.000 0.620 16 A CB -1.194 17.776 19.000 -0.050 0.000 0.819 16 A HN 0.447 nan 8.150 nan 0.000 0.442 17 G N -0.110 108.669 108.800 -0.035 0.000 2.414 17 G HA2 -0.141 3.839 3.960 0.033 0.000 0.215 17 G HA3 -0.141 3.839 3.960 0.033 0.000 0.215 17 G C 1.568 176.459 174.900 -0.015 0.000 1.188 17 G CA 1.019 46.092 45.100 -0.045 0.000 0.783 17 G HN 0.411 nan 8.290 nan 0.000 0.537 18 L N -0.159 121.064 121.223 0.000 0.000 2.046 18 L HA -0.040 4.320 4.340 0.033 0.000 0.208 18 L C 2.911 179.810 176.870 0.048 0.000 1.077 18 L CA 1.232 56.080 54.840 0.013 0.000 0.747 18 L CB -0.314 41.750 42.059 0.009 0.000 0.896 18 L HN 0.137 nan 8.230 nan 0.000 0.432 19 R N 0.691 121.235 120.500 0.073 0.000 2.092 19 R HA -0.097 4.263 4.340 0.033 0.000 0.231 19 R C 2.173 178.534 176.300 0.102 0.000 1.119 19 R CA 1.596 57.771 56.100 0.124 0.000 0.970 19 R CB -0.603 29.767 30.300 0.117 0.000 0.864 19 R HN 0.316 nan 8.270 nan 0.000 0.440 20 A N 0.032 122.884 122.820 0.055 0.000 1.930 20 A HA 0.035 4.375 4.320 0.033 0.000 0.217 20 A C 2.310 179.957 177.584 0.105 0.000 1.175 20 A CA 1.507 53.583 52.037 0.064 0.000 0.627 20 A CB -0.870 18.122 19.000 -0.014 0.000 0.815 20 A HN 0.443 nan 8.150 nan 0.000 0.443 21 A N -0.596 122.268 122.820 0.072 0.000 1.972 21 A HA 0.029 4.368 4.320 0.033 0.000 0.219 21 A C 2.188 179.805 177.584 0.056 0.000 1.169 21 A CA 1.662 53.739 52.037 0.067 0.000 0.635 21 A CB -0.750 18.268 19.000 0.030 0.000 0.810 21 A HN 0.342 nan 8.150 nan 0.000 0.446 22 V N -0.269 119.684 119.914 0.065 0.000 2.358 22 V HA -0.221 3.919 4.120 0.033 0.000 0.246 22 V C 3.033 179.180 176.094 0.089 0.000 1.047 22 V CA 1.822 64.161 62.300 0.065 0.000 1.035 22 V CB -1.026 30.866 31.823 0.114 0.000 0.658 22 V HN 0.605 nan 8.190 nan 0.000 0.452 23 A N 0.490 123.380 122.820 0.117 0.000 1.972 23 A HA -0.215 4.125 4.320 0.033 0.000 0.219 23 A C 2.428 180.048 177.584 0.059 0.000 1.169 23 A CA 2.465 54.568 52.037 0.111 0.000 0.635 23 A CB -0.730 18.349 19.000 0.132 0.000 0.810 23 A HN 0.652 nan 8.150 nan 0.000 0.446 24 T N -3.816 110.766 114.554 0.047 0.000 3.009 24 T HA 0.000 4.370 4.350 0.033 0.000 0.258 24 T C 1.891 176.579 174.700 -0.020 0.000 1.063 24 T CA 1.209 63.298 62.100 -0.018 0.000 1.139 24 T CB -0.102 68.733 68.868 -0.055 0.000 0.890 24 T HN 0.323 nan 8.240 nan 0.000 0.471 25 Q N 2.116 121.917 119.800 0.002 0.000 2.049 25 Q HA -0.077 4.283 4.340 0.033 0.000 0.198 25 Q C 2.449 178.446 176.000 -0.006 0.000 0.971 25 Q CA 1.845 57.644 55.803 -0.007 0.000 0.833 25 Q CB -0.500 28.233 28.738 -0.008 0.000 0.896 25 Q HN 0.848 nan 8.270 nan 0.000 0.434 26 Q N 0.441 120.246 119.800 0.007 0.000 2.297 26 Q HA -0.188 4.172 4.340 0.033 0.000 0.208 26 Q C 0.305 176.308 176.000 0.005 0.000 0.981 26 Q CA 1.608 57.417 55.803 0.011 0.000 0.876 26 Q CB -0.400 28.361 28.738 0.039 0.000 0.921 26 Q HN 0.335 nan 8.270 nan 0.000 0.446 27 K N -0.586 119.812 120.400 -0.004 0.000 2.814 27 K HA 0.428 4.768 4.320 0.033 0.000 0.213 27 K C 0.518 177.107 176.600 -0.019 0.000 1.113 27 K CA 0.030 56.309 56.287 -0.013 0.000 1.145 27 K CB 0.563 33.051 32.500 -0.019 0.000 0.948 27 K HN 0.234 nan 8.250 nan 0.000 0.464 28 G N 1.261 110.052 108.800 -0.015 0.000 2.168 28 G HA2 -0.291 3.689 3.960 0.033 0.000 0.263 28 G HA3 -0.291 3.689 3.960 0.033 0.000 0.263 28 G C -0.019 174.872 174.900 -0.016 0.000 0.977 28 G CA 0.084 45.176 45.100 -0.014 0.000 0.659 28 G HN 0.362 nan 8.290 nan 0.000 0.533 29 L N 2.139 123.345 121.223 -0.030 0.000 2.281 29 L HA 0.477 4.837 4.340 0.033 0.000 0.285 29 L C 1.273 178.127 176.870 -0.026 0.000 1.074 29 L CA -0.065 54.751 54.840 -0.041 0.000 0.817 29 L CB 1.453 43.458 42.059 -0.091 0.000 1.168 29 L HN 0.379 nan 8.230 nan 0.000 0.434 30 S N 1.603 117.300 115.700 -0.005 0.000 2.516 30 S HA 0.310 4.800 4.470 0.033 0.000 0.282 30 S C 0.097 174.684 174.600 -0.020 0.000 1.286 30 S CA -0.597 57.606 58.200 0.004 0.000 1.066 30 S CB 0.695 63.920 63.200 0.043 0.000 0.884 30 S HN 0.706 nan 8.310 nan 0.000 0.491 31 T N 2.098 116.648 114.554 -0.008 0.000 2.861 31 T HA 0.652 5.022 4.350 0.033 0.000 0.287 31 T C -0.569 174.140 174.700 0.016 0.000 1.003 31 T CA -1.043 61.057 62.100 0.000 0.000 0.977 31 T CB 0.794 69.671 68.868 0.015 0.000 0.996 31 T HN 0.567 nan 8.240 nan 0.000 0.448 32 I N 3.306 123.893 120.570 0.028 0.000 2.441 32 I HA 0.517 4.707 4.170 0.033 0.000 0.295 32 I C -0.386 175.735 176.117 0.007 0.000 0.994 32 I CA -1.184 60.139 61.300 0.037 0.000 1.144 32 I CB 1.846 39.904 38.000 0.096 0.000 1.314 32 I HN 0.531 nan 8.210 nan 0.000 0.445 33 V N 6.820 126.726 119.914 -0.014 0.000 2.378 33 V HA 0.421 4.561 4.120 0.033 0.000 0.288 33 V C 0.094 176.144 176.094 -0.073 0.000 1.016 33 V CA -0.549 61.728 62.300 -0.040 0.000 0.840 33 V CB 2.022 33.826 31.823 -0.032 0.000 0.994 33 V HN 0.446 nan 8.190 nan 0.000 0.431 34 L N 3.959 125.113 121.223 -0.116 0.000 2.307 34 L HA 0.741 5.101 4.340 0.033 0.000 0.282 34 L C 0.193 177.002 176.870 -0.102 0.000 1.051 34 L CA 0.086 54.834 54.840 -0.155 0.000 0.804 34 L CB 1.825 43.728 42.059 -0.261 0.000 1.197 34 L HN 0.686 nan 8.230 nan 0.000 0.431 35 S N 1.315 116.967 115.700 -0.080 0.000 2.537 35 S HA 0.464 4.954 4.470 0.033 0.000 0.270 35 S C 0.553 175.131 174.600 -0.036 0.000 1.142 35 S CA -0.683 57.486 58.200 -0.053 0.000 0.870 35 S CB 1.461 64.635 63.200 -0.042 0.000 1.112 35 S HN 0.592 nan 8.310 nan 0.000 0.466 36 L N 3.150 124.359 121.223 -0.024 0.000 2.141 36 L HA 0.196 4.556 4.340 0.033 0.000 0.209 36 L C 0.831 177.699 176.870 -0.005 0.000 1.094 36 L CA 1.004 55.839 54.840 -0.008 0.000 0.763 36 L CB -0.389 41.668 42.059 -0.004 0.000 0.908 36 L HN 0.650 nan 8.230 nan 0.000 0.437 37 I N -5.846 114.719 120.570 -0.008 0.000 3.264 37 I HA 0.510 4.700 4.170 0.033 0.000 0.315 37 I C -2.714 173.396 176.117 -0.012 0.000 1.154 37 I CA -2.782 58.516 61.300 -0.004 0.000 0.962 37 I CB 1.339 39.341 38.000 0.003 0.000 1.265 37 I HN -0.368 nan 8.210 nan 0.000 0.463 38 P HA -0.015 nan 4.420 nan 0.000 0.262 38 P C 1.197 178.476 177.300 -0.035 0.000 1.182 38 P CA -0.119 62.963 63.100 -0.030 0.000 0.761 38 P CB 0.714 32.397 31.700 -0.028 0.000 0.795 39 V N 3.119 123.000 119.914 -0.054 0.000 2.380 39 V HA -0.285 3.855 4.120 0.033 0.000 0.251 39 V C 1.261 177.322 176.094 -0.055 0.000 1.063 39 V CA 1.778 64.046 62.300 -0.053 0.000 1.055 39 V CB -1.432 30.351 31.823 -0.067 0.000 0.657 39 V HN 0.550 nan 8.190 nan 0.000 0.455 40 K N 0.430 120.765 120.400 -0.108 0.000 2.591 40 K HA 0.160 4.500 4.320 0.033 0.000 0.197 40 K C 1.441 178.091 176.600 0.084 0.000 1.026 40 K CA 0.301 56.531 56.287 -0.094 0.000 1.127 40 K CB -0.195 32.010 32.500 -0.493 0.000 0.871 40 K HN 0.469 nan 8.250 nan 0.000 0.507 41 R N 0.702 121.235 120.500 0.057 0.000 2.476 41 R HA 0.167 4.527 4.340 0.033 0.000 0.276 41 R C -0.193 176.152 176.300 0.075 0.000 0.941 41 R CA -0.171 55.980 56.100 0.085 0.000 1.088 41 R CB 0.727 31.060 30.300 0.056 0.000 1.216 41 R HN 0.048 nan 8.270 nan 0.000 0.533 42 S N 0.656 116.393 115.700 0.062 0.000 2.563 42 S HA -0.103 4.387 4.470 0.033 0.000 0.269 42 S C 1.004 175.663 174.600 0.099 0.000 1.364 42 S CA -0.081 58.158 58.200 0.066 0.000 1.010 42 S CB 0.527 63.754 63.200 0.046 0.000 0.877 42 S HN 0.364 nan 8.310 nan 0.000 0.549 43 H N 1.572 120.638 119.070 -0.007 0.000 2.489 43 H HA -0.052 4.524 4.556 0.033 0.000 0.295 43 H C 1.960 177.287 175.328 -0.002 0.000 1.082 43 H CA 1.899 57.936 56.048 -0.018 0.000 1.295 43 H CB -0.365 29.368 29.762 -0.049 0.000 1.380 43 H HN 0.474 nan 8.280 nan 0.000 0.548 44 S N -0.275 115.419 115.700 -0.010 0.000 2.387 44 S HA -0.221 4.269 4.470 0.033 0.000 0.230 44 S C 2.361 176.925 174.600 -0.059 0.000 1.035 44 S CA 0.903 59.077 58.200 -0.043 0.000 1.014 44 S CB -0.553 62.661 63.200 0.022 0.000 0.836 44 S HN 0.694 nan 8.310 nan 0.000 0.466 45 A N 1.022 123.838 122.820 -0.007 0.000 2.076 45 A HA 0.115 4.455 4.320 0.033 0.000 0.220 45 A C 2.190 179.753 177.584 -0.035 0.000 1.160 45 A CA 1.504 53.566 52.037 0.041 0.000 0.653 45 A CB -0.699 18.383 19.000 0.136 0.000 0.801 45 A HN 0.526 nan 8.150 nan 0.000 0.455 46 A N -0.306 122.419 122.820 -0.158 0.000 2.067 46 A HA 0.494 4.834 4.320 0.033 0.000 0.217 46 A C 1.468 178.953 177.584 -0.165 0.000 1.156 46 A CA 0.718 52.637 52.037 -0.197 0.000 0.683 46 A CB -0.840 17.947 19.000 -0.354 0.000 0.808 46 A HN 1.134 nan 8.150 nan 0.000 0.455 47 A N -0.027 122.702 122.820 -0.152 0.000 2.566 47 A HA 0.277 4.617 4.320 0.033 0.000 0.245 47 A C 0.666 178.204 177.584 -0.077 0.000 1.056 47 A CA 0.505 52.488 52.037 -0.091 0.000 0.757 47 A CB -0.095 18.874 19.000 -0.052 0.000 0.979 47 A HN 0.603 nan 8.150 nan 0.000 0.508 48 Q N 2.178 121.921 119.800 -0.095 0.000 2.126 48 Q HA 0.126 4.486 4.340 0.033 0.000 0.233 48 Q C 1.715 177.573 176.000 -0.237 0.000 0.788 48 Q CA 0.436 56.166 55.803 -0.121 0.000 0.968 48 Q CB 0.842 29.520 28.738 -0.100 0.000 1.163 48 Q HN 0.868 nan 8.270 nan 0.000 0.471 49 G N 1.168 109.754 108.800 -0.357 0.000 2.425 49 G HA2 0.324 4.304 3.960 0.033 0.000 0.213 49 G HA3 0.324 4.304 3.960 0.033 0.000 0.213 49 G C 0.644 174.988 174.900 -0.926 0.000 1.201 49 G CA 0.774 45.281 45.100 -0.988 0.000 0.799 49 G HN 0.450 nan 8.290 nan 0.000 0.534 50 G N -1.528 106.995 108.800 -0.461 0.000 2.369 50 G HA2 0.300 4.280 3.960 0.033 0.000 0.307 50 G HA3 0.300 4.280 3.960 0.033 0.000 0.307 50 G C -1.152 173.775 174.900 0.044 0.000 1.327 50 G CA -0.202 44.823 45.100 -0.125 0.000 0.963 50 G HN 0.506 nan 8.290 nan 0.000 0.590 51 M N 0.820 120.519 119.600 0.166 0.000 2.181 51 M HA 0.598 5.097 4.480 0.033 0.000 0.323 51 M C -0.038 176.343 176.300 0.136 0.000 1.004 51 M CA -0.766 54.647 55.300 0.189 0.000 0.941 51 M CB 1.669 34.426 32.600 0.262 0.000 1.579 51 M HN 0.681 nan 8.290 nan 0.000 0.427 52 Q N 3.553 123.466 119.800 0.188 0.000 2.293 52 Q HA 0.630 4.990 4.340 0.033 0.000 0.263 52 Q C -1.633 174.409 176.000 0.070 0.000 1.002 52 Q CA 0.022 55.899 55.803 0.123 0.000 0.910 52 Q CB 0.929 29.807 28.738 0.233 0.000 1.185 52 Q HN 0.716 nan 8.270 nan 0.000 0.401 53 A N 2.924 125.667 122.820 -0.128 0.000 2.512 53 A HA 0.376 4.716 4.320 0.033 0.000 0.294 53 A C -0.588 176.882 177.584 -0.188 0.000 1.054 53 A CA -0.516 51.437 52.037 -0.141 0.000 0.756 53 A CB 1.110 20.037 19.000 -0.121 0.000 1.293 53 A HN 0.810 nan 8.150 nan 0.000 0.395 54 S N 2.812 118.419 115.700 -0.155 0.000 4.117 54 S HA 0.243 4.733 4.470 0.033 0.000 0.191 54 S C 0.896 175.462 174.600 -0.055 0.000 1.308 54 S CA -0.289 57.856 58.200 -0.091 0.000 0.906 54 S CB -1.019 62.176 63.200 -0.008 0.000 1.565 54 S HN 0.592 nan 8.310 nan 0.000 0.439 55 L N 1.421 122.600 121.223 -0.074 0.000 2.131 55 L HA 0.218 4.578 4.340 0.033 0.000 0.206 55 L C 2.118 178.969 176.870 -0.032 0.000 1.087 55 L CA 0.552 55.352 54.840 -0.066 0.000 0.767 55 L CB -1.105 40.891 42.059 -0.105 0.000 0.917 55 L HN 0.779 nan 8.230 nan 0.000 0.441 56 G N 0.310 109.099 108.800 -0.020 0.000 2.176 56 G HA2 -0.323 3.657 3.960 0.033 0.000 0.252 56 G HA3 -0.323 3.657 3.960 0.033 0.000 0.252 56 G C 0.498 175.398 174.900 0.001 0.000 1.024 56 G CA 0.751 45.851 45.100 -0.000 0.000 0.755 56 G HN 0.494 nan 8.290 nan 0.000 0.507 57 N N -0.027 118.662 118.700 -0.018 0.000 2.132 57 N HA 0.056 4.816 4.740 0.033 0.000 0.187 57 N C 1.930 177.401 175.510 -0.066 0.000 1.038 57 N CA 0.859 53.887 53.050 -0.036 0.000 0.846 57 N CB -0.063 38.381 38.487 -0.072 0.000 1.012 57 N HN 0.649 nan 8.380 nan 0.000 0.429 58 S N 0.899 116.561 115.700 -0.064 0.000 2.596 58 S HA 0.071 4.561 4.470 0.033 0.000 0.260 58 S C 1.111 175.667 174.600 -0.073 0.000 1.336 58 S CA -0.440 57.706 58.200 -0.091 0.000 0.993 58 S CB 1.466 64.698 63.200 0.052 0.000 0.923 58 S HN 0.075 nan 8.310 nan 0.000 0.567 59 K N 0.537 120.873 120.400 -0.106 0.000 2.009 59 K HA -0.027 4.313 4.320 0.033 0.000 0.210 59 K C 1.825 178.329 176.600 -0.160 0.000 1.049 59 K CA 2.072 58.283 56.287 -0.126 0.000 0.929 59 K CB -0.599 31.812 32.500 -0.147 0.000 0.714 59 K HN 0.675 nan 8.250 nan 0.000 0.440 60 M N 0.601 120.055 119.600 -0.243 0.000 2.686 60 M HA 0.040 4.540 4.480 0.033 0.000 0.246 60 M C 1.348 177.549 176.300 -0.164 0.000 1.096 60 M CA 0.925 55.972 55.300 -0.422 0.000 1.076 60 M CB -0.503 31.455 32.600 -1.069 0.000 1.504 60 M HN 0.044 nan 8.290 nan 0.000 0.524 61 S N -0.770 114.908 115.700 -0.038 0.000 2.502 61 S HA 0.032 4.522 4.470 0.033 0.000 0.215 61 S C 0.677 175.277 174.600 -0.001 0.000 1.009 61 S CA -0.371 57.843 58.200 0.024 0.000 0.908 61 S CB 0.345 63.574 63.200 0.048 0.000 0.801 61 S HN 0.473 nan 8.310 nan 0.000 0.505 62 D N 1.210 121.598 120.400 -0.020 0.000 2.583 62 D HA 0.131 4.791 4.640 0.033 0.000 0.232 62 D C 1.217 177.517 176.300 -0.000 0.000 1.128 62 D CA 1.605 55.603 54.000 -0.002 0.000 0.859 62 D CB 0.503 41.301 40.800 -0.003 0.000 1.169 62 D HN 0.419 nan 8.370 nan 0.000 0.481 63 G N 3.543 112.350 108.800 0.012 0.000 2.241 63 G HA2 -0.271 3.709 3.960 0.033 0.000 0.244 63 G HA3 -0.271 3.709 3.960 0.033 0.000 0.244 63 G C 0.404 175.314 174.900 0.017 0.000 0.998 63 G CA 0.318 45.425 45.100 0.012 0.000 0.621 63 G HN 0.679 nan 8.290 nan 0.000 0.519 64 D N 1.645 122.056 120.400 0.017 0.000 2.423 64 D HA 0.492 5.152 4.640 0.033 0.000 0.238 64 D C 0.667 176.981 176.300 0.025 0.000 1.142 64 D CA 0.947 54.960 54.000 0.023 0.000 0.884 64 D CB 0.448 41.257 40.800 0.015 0.000 1.199 64 D HN 0.822 nan 8.370 nan 0.000 0.438 65 N N -0.138 118.586 118.700 0.039 0.000 3.179 65 N HA 0.144 4.904 4.740 0.033 0.000 0.250 65 N C 0.098 175.656 175.510 0.078 0.000 1.507 65 N CA -0.623 52.453 53.050 0.044 0.000 0.883 65 N CB 0.313 38.816 38.487 0.027 0.000 1.435 65 N HN 0.054 nan 8.380 nan 0.000 0.532 66 E N -0.081 120.161 120.200 0.070 0.000 2.114 66 E HA -0.198 4.172 4.350 0.033 0.000 0.199 66 E C 0.522 177.190 176.600 0.114 0.000 1.008 66 E CA 2.138 58.588 56.400 0.082 0.000 0.810 66 E CB -0.306 29.418 29.700 0.040 0.000 0.739 66 E HN 0.576 nan 8.360 nan 0.000 0.456 67 D N 0.256 120.700 120.400 0.072 0.000 2.104 67 D HA -0.159 4.501 4.640 0.033 0.000 0.194 67 D C 2.128 178.540 176.300 0.188 0.000 0.994 67 D CA 0.936 55.001 54.000 0.110 0.000 0.830 67 D CB -0.343 40.483 40.800 0.042 0.000 0.959 67 D HN 0.202 nan 8.370 nan 0.000 0.452 68 L N 0.096 121.403 121.223 0.141 0.000 2.017 68 L HA -0.182 4.178 4.340 0.033 0.000 0.208 68 L C 2.635 179.618 176.870 0.188 0.000 1.073 68 L CA 1.264 56.185 54.840 0.136 0.000 0.745 68 L CB -0.721 41.395 42.059 0.096 0.000 0.894 68 L HN 0.209 nan 8.230 nan 0.000 0.432 69 H N -0.511 118.610 119.070 0.085 0.000 2.319 69 H HA -0.273 4.303 4.556 0.033 0.000 0.299 69 H C 2.302 177.695 175.328 0.108 0.000 1.092 69 H CA 1.850 57.950 56.048 0.086 0.000 1.302 69 H CB 0.034 29.838 29.762 0.071 0.000 1.373 69 H HN 0.250 nan 8.280 nan 0.000 0.497 70 F N 1.045 121.008 119.950 0.021 0.000 2.091 70 F HA -0.290 4.257 4.527 0.033 0.000 0.299 70 F C 2.643 178.403 175.800 -0.067 0.000 1.103 70 F CA 1.980 59.931 58.000 -0.082 0.000 1.228 70 F CB -0.463 38.486 39.000 -0.086 0.000 0.984 70 F HN 0.162 nan 8.300 nan 0.000 0.477 71 M N 0.033 119.595 119.600 -0.062 0.000 2.132 71 M HA -0.212 4.288 4.480 0.033 0.000 0.263 71 M C 1.809 177.972 176.300 -0.229 0.000 1.065 71 M CA 2.056 57.236 55.300 -0.201 0.000 1.122 71 M CB -0.470 32.138 32.600 0.014 0.000 1.365 71 M HN 0.091 nan 8.290 nan 0.000 0.411 72 D N -0.286 120.061 120.400 -0.088 0.000 2.123 72 D HA -0.154 4.506 4.640 0.033 0.000 0.196 72 D C 1.841 178.044 176.300 -0.161 0.000 0.992 72 D CA 1.963 55.918 54.000 -0.076 0.000 0.833 72 D CB -0.451 40.369 40.800 0.033 0.000 0.954 72 D HN 0.406 nan 8.370 nan 0.000 0.455 73 T N 0.792 115.236 114.554 -0.183 0.000 2.708 73 T HA -0.091 4.279 4.350 0.033 0.000 0.266 73 T C 2.298 176.764 174.700 -0.389 0.000 1.037 73 T CA 0.805 62.761 62.100 -0.240 0.000 1.146 73 T CB -0.267 68.459 68.868 -0.237 0.000 0.865 73 T HN -0.019 nan 8.240 nan 0.000 0.435 74 V N 1.379 120.928 119.914 -0.607 0.000 2.323 74 V HA -0.116 4.024 4.120 0.033 0.000 0.244 74 V C 2.363 177.889 176.094 -0.946 0.000 1.041 74 V CA 1.510 63.351 62.300 -0.765 0.000 1.025 74 V CB -0.453 30.807 31.823 -0.939 0.000 0.656 74 V HN 0.453 nan 8.190 nan 0.000 0.451 75 K N 0.446 120.339 120.400 -0.845 0.000 2.211 75 K HA -0.035 4.305 4.320 0.033 0.000 0.203 75 K C 2.199 178.518 176.600 -0.468 0.000 1.050 75 K CA 1.209 56.945 56.287 -0.919 0.000 0.945 75 K CB -0.495 31.735 32.500 -0.451 0.000 0.732 75 K HN 0.543 nan 8.250 nan 0.000 0.451 76 G N 1.299 109.919 108.800 -0.299 0.000 2.408 76 G HA2 -0.248 3.732 3.960 0.033 0.000 0.217 76 G HA3 -0.248 3.732 3.960 0.033 0.000 0.217 76 G C 1.502 176.360 174.900 -0.070 0.000 1.150 76 G CA 0.991 46.022 45.100 -0.114 0.000 0.776 76 G HN 0.401 nan 8.290 nan 0.000 0.542 77 S N -0.197 115.399 115.700 -0.174 0.000 2.555 77 S HA -0.000 4.490 4.470 0.033 0.000 0.230 77 S C 1.098 175.711 174.600 0.023 0.000 0.978 77 S CA 1.105 59.270 58.200 -0.058 0.000 0.934 77 S CB -0.045 63.086 63.200 -0.115 0.000 0.766 77 S HN 0.290 nan 8.310 nan 0.000 0.533 78 D N 0.012 120.359 120.400 -0.088 0.000 2.870 78 D HA -0.185 4.475 4.640 0.033 0.000 0.228 78 D C -0.472 176.002 176.300 0.290 0.000 1.147 78 D CA 1.073 55.134 54.000 0.103 0.000 0.757 78 D CB -1.954 38.937 40.800 0.152 0.000 1.091 78 D HN 0.686 nan 8.370 nan 0.000 0.429 79 W N -2.562 118.733 121.300 -0.009 0.000 3.750 79 W HA -0.234 4.446 4.660 0.033 0.000 0.329 79 W C 1.333 177.892 176.519 0.066 0.000 1.247 79 W CA 0.671 58.012 57.345 -0.006 0.000 0.698 79 W CB -1.939 27.492 29.460 -0.048 0.000 2.324 79 W HN 0.391 nan 8.180 nan 0.000 1.357 80 G N -0.346 108.603 108.800 0.248 0.000 3.126 80 G HA2 0.250 4.230 3.960 0.033 0.000 0.224 80 G HA3 0.250 4.230 3.960 0.033 0.000 0.224 80 G C 0.508 175.539 174.900 0.217 0.000 1.142 80 G CA 0.661 45.973 45.100 0.353 0.000 0.759 80 G HN 0.351 nan 8.290 nan 0.000 0.550 81 C N -0.431 118.920 119.300 0.085 0.000 2.325 81 C HA 0.642 5.122 4.460 0.033 0.000 0.370 81 C C -0.451 174.536 174.990 -0.005 0.000 1.217 81 C CA -1.348 57.670 59.018 -0.000 0.000 2.254 81 C CB 1.790 29.466 27.740 -0.106 0.000 2.282 81 C HN 0.178 nan 8.230 nan 0.000 0.564 82 D N 1.928 122.300 120.400 -0.046 0.000 2.393 82 D HA 0.148 4.808 4.640 0.033 0.000 0.232 82 D C 0.983 177.245 176.300 -0.063 0.000 1.192 82 D CA 0.343 54.321 54.000 -0.037 0.000 0.882 82 D CB 1.161 41.924 40.800 -0.062 0.000 1.038 82 D HN 0.668 nan 8.370 nan 0.000 0.499 83 Q N 1.574 121.378 119.800 0.006 0.000 2.234 83 Q HA -0.188 4.172 4.340 0.033 0.000 0.206 83 Q C 1.463 177.521 176.000 0.096 0.000 0.980 83 Q CA 1.176 57.035 55.803 0.094 0.000 0.869 83 Q CB 0.229 29.091 28.738 0.206 0.000 0.912 83 Q HN 0.402 nan 8.270 nan 0.000 0.436 84 K N 0.003 120.397 120.400 -0.010 0.000 2.057 84 K HA -0.091 4.249 4.320 0.033 0.000 0.206 84 K C 2.108 178.599 176.600 -0.181 0.000 1.050 84 K CA 1.349 57.589 56.287 -0.080 0.000 0.935 84 K CB -0.179 32.300 32.500 -0.036 0.000 0.715 84 K HN 0.022 nan 8.250 nan 0.000 0.439 85 V N 1.997 121.772 119.914 -0.232 0.000 2.295 85 V HA -0.255 3.885 4.120 0.033 0.000 0.246 85 V C 2.524 178.351 176.094 -0.444 0.000 1.049 85 V CA 2.044 64.048 62.300 -0.493 0.000 1.024 85 V CB -0.799 30.581 31.823 -0.739 0.000 0.648 85 V HN 0.377 nan 8.190 nan 0.000 0.447 86 A N -0.439 122.230 122.820 -0.252 0.000 1.940 86 A HA -0.235 4.105 4.320 0.033 0.000 0.219 86 A C 2.372 179.986 177.584 0.051 0.000 1.176 86 A CA 1.642 53.631 52.037 -0.080 0.000 0.631 86 A CB -0.471 18.492 19.000 -0.062 0.000 0.814 86 A HN 0.374 nan 8.150 nan 0.000 0.446 87 R N -0.848 119.567 120.500 -0.142 0.000 2.066 87 R HA -0.003 4.357 4.340 0.033 0.000 0.232 87 R C 2.189 178.150 176.300 -0.566 0.000 1.131 87 R CA 1.651 57.400 56.100 -0.585 0.000 0.955 87 R CB -0.701 28.803 30.300 -1.326 0.000 0.851 87 R HN 0.680 nan 8.270 nan 0.000 0.432 88 M N -0.511 118.845 119.600 -0.406 0.000 2.108 88 M HA -0.204 4.295 4.480 0.033 0.000 0.261 88 M C 2.036 178.372 176.300 0.060 0.000 1.066 88 M CA 1.622 56.917 55.300 -0.008 0.000 1.107 88 M CB -0.510 32.159 32.600 0.115 0.000 1.356 88 M HN 0.029 nan 8.290 nan 0.000 0.406 89 F N 1.524 121.393 119.950 -0.135 0.000 2.000 89 F HA -0.192 4.355 4.527 0.033 0.000 0.295 89 F C 2.343 178.130 175.800 -0.022 0.000 1.159 89 F CA 1.941 59.922 58.000 -0.032 0.000 1.171 89 F CB -0.999 37.931 39.000 -0.117 0.000 0.971 89 F HN -0.006 nan 8.300 nan 0.000 0.479 90 V N 0.137 119.731 119.914 -0.532 0.000 2.439 90 V HA -0.358 3.782 4.120 0.033 0.000 0.253 90 V C 2.240 178.173 176.094 -0.268 0.000 1.074 90 V CA 2.512 64.488 62.300 -0.539 0.000 1.076 90 V CB -1.481 30.219 31.823 -0.204 0.000 0.664 90 V HN 0.702 nan 8.190 nan 0.000 0.461 91 N N 0.649 119.257 118.700 -0.154 0.000 2.171 91 N HA -0.134 4.626 4.740 0.033 0.000 0.184 91 N C 1.769 177.257 175.510 -0.036 0.000 1.021 91 N CA 2.049 55.084 53.050 -0.024 0.000 0.854 91 N CB -0.057 38.495 38.487 0.108 0.000 0.994 91 N HN 0.651 nan 8.380 nan 0.000 0.426 92 T N 0.554 115.062 114.554 -0.076 0.000 3.043 92 T HA 0.166 4.535 4.350 0.033 0.000 0.263 92 T C 1.961 176.569 174.700 -0.154 0.000 1.094 92 T CA 0.608 62.657 62.100 -0.085 0.000 1.127 92 T CB -0.108 68.709 68.868 -0.084 0.000 0.905 92 T HN 0.323 nan 8.240 nan 0.000 0.490 93 A N 2.607 125.259 122.820 -0.280 0.000 1.903 93 A HA -0.097 4.243 4.320 0.033 0.000 0.219 93 A C 0.110 177.611 177.584 -0.138 0.000 1.191 93 A CA 1.567 53.453 52.037 -0.252 0.000 0.638 93 A CB -1.686 17.057 19.000 -0.428 0.000 0.823 93 A HN 0.361 nan 8.150 nan 0.000 0.451 94 P HA -0.214 nan 4.420 nan 0.000 0.215 94 P C 1.167 178.411 177.300 -0.093 0.000 1.157 94 P CA 1.967 65.008 63.100 -0.099 0.000 0.874 94 P CB -0.148 31.515 31.700 -0.062 0.000 0.790 95 K N -0.934 119.425 120.400 -0.067 0.000 2.439 95 K HA 0.139 4.479 4.320 0.033 0.000 0.197 95 K C 1.918 178.466 176.600 -0.087 0.000 1.041 95 K CA 1.151 57.407 56.287 -0.051 0.000 0.970 95 K CB -0.631 31.880 32.500 0.018 0.000 0.773 95 K HN -0.015 nan 8.250 nan 0.000 0.479 96 A N 2.282 125.041 122.820 -0.102 0.000 1.897 96 A HA -0.030 4.310 4.320 0.033 0.000 0.215 96 A C 2.180 179.727 177.584 -0.061 0.000 1.181 96 A CA 0.746 52.724 52.037 -0.098 0.000 0.620 96 A CB -0.311 18.661 19.000 -0.048 0.000 0.821 96 A HN 0.169 nan 8.150 nan 0.000 0.443 97 I N -0.095 120.434 120.570 -0.068 0.000 2.127 97 I HA -0.246 3.944 4.170 0.033 0.000 0.241 97 I C 2.604 178.695 176.117 -0.042 0.000 1.075 97 I CA 1.705 62.944 61.300 -0.100 0.000 1.334 97 I CB -1.285 36.469 38.000 -0.410 0.000 1.040 97 I HN 0.348 nan 8.210 nan 0.000 0.405 98 R N 0.404 120.841 120.500 -0.105 0.000 2.105 98 R HA -0.214 4.146 4.340 0.033 0.000 0.239 98 R C 2.233 178.483 176.300 -0.083 0.000 1.135 98 R CA 1.564 57.623 56.100 -0.070 0.000 0.967 98 R CB -0.296 29.962 30.300 -0.069 0.000 0.861 98 R HN 0.473 nan 8.270 nan 0.000 0.442 99 E N 0.910 121.000 120.200 -0.183 0.000 2.072 99 E HA -0.159 4.211 4.350 0.033 0.000 0.191 99 E C 1.879 178.103 176.600 -0.627 0.000 0.985 99 E CA 0.858 56.998 56.400 -0.433 0.000 0.801 99 E CB 0.023 29.395 29.700 -0.546 0.000 0.750 99 E HN 0.270 nan 8.360 nan 0.000 0.452 100 L N 0.454 121.480 121.223 -0.329 0.000 2.083 100 L HA -0.162 4.198 4.340 0.033 0.000 0.209 100 L C 2.648 179.594 176.870 0.126 0.000 1.083 100 L CA 0.978 55.768 54.840 -0.082 0.000 0.752 100 L CB -0.468 41.703 42.059 0.187 0.000 0.899 100 L HN 0.241 nan 8.230 nan 0.000 0.433 101 A N 0.095 123.074 122.820 0.265 0.000 1.902 101 A HA -0.141 4.199 4.320 0.033 0.000 0.217 101 A C 2.513 180.192 177.584 0.159 0.000 1.181 101 A CA 1.617 53.841 52.037 0.311 0.000 0.623 101 A CB -0.634 18.544 19.000 0.296 0.000 0.818 101 A HN 0.388 nan 8.150 nan 0.000 0.443 102 A N -1.894 120.971 122.820 0.075 0.000 2.015 102 A HA -0.089 4.251 4.320 0.033 0.000 0.219 102 A C 1.601 179.360 177.584 0.291 0.000 1.163 102 A CA 1.129 53.238 52.037 0.120 0.000 0.646 102 A CB -0.638 18.398 19.000 0.060 0.000 0.806 102 A HN 0.724 nan 8.150 nan 0.000 0.448 103 W N -1.059 120.278 121.300 0.061 0.000 3.345 103 W HA 0.394 5.074 4.660 0.034 0.000 0.282 103 W C 1.559 178.080 176.519 0.004 0.000 1.302 103 W CA 0.136 57.500 57.345 0.031 0.000 1.724 103 W CB -0.833 28.646 29.460 0.030 0.000 1.104 103 W HN 0.565 nan 8.180 nan 0.000 0.694 104 G N -0.734 108.188 108.800 0.202 0.000 2.195 104 G HA2 -0.277 3.703 3.960 0.033 0.000 0.224 104 G HA3 -0.277 3.703 3.960 0.033 0.000 0.224 104 G C 0.092 174.985 174.900 -0.013 0.000 0.990 104 G CA -0.140 45.013 45.100 0.087 0.000 0.639 104 G HN -0.042 nan 8.290 nan 0.000 0.514 105 V N 3.428 123.296 119.914 -0.076 0.000 2.506 105 V HA 0.208 4.348 4.120 0.033 0.000 0.296 105 V C -0.732 175.113 176.094 -0.415 0.000 1.004 105 V CA 0.306 62.388 62.300 -0.364 0.000 1.150 105 V CB 0.662 32.077 31.823 -0.681 0.000 0.911 105 V HN 0.345 nan 8.190 nan 0.000 0.476 106 P HA -0.009 nan 4.420 nan 0.000 0.231 106 P C -0.236 176.969 177.300 -0.158 0.000 1.756 106 P CA -0.296 62.700 63.100 -0.174 0.000 0.990 106 P CB -0.235 31.393 31.700 -0.120 0.000 1.973 107 W N 0.892 122.150 121.300 -0.069 0.000 2.257 107 W HA 0.029 4.710 4.660 0.034 0.000 0.337 107 W C 1.095 177.508 176.519 -0.176 0.000 1.321 107 W CA -0.130 57.137 57.345 -0.130 0.000 1.267 107 W CB -0.023 29.371 29.460 -0.110 0.000 1.187 107 W HN 0.056 nan 8.180 nan 0.000 0.565 108 T N 5.715 120.242 114.554 -0.046 0.000 2.902 108 T HA 0.090 4.460 4.350 0.033 0.000 0.301 108 T C 0.577 175.245 174.700 -0.053 0.000 1.012 108 T CA -0.393 61.614 62.100 -0.154 0.000 1.151 108 T CB 0.123 68.702 68.868 -0.482 0.000 0.946 108 T HN 0.097 nan 8.240 nan 0.000 0.542 109 R N 2.241 122.749 120.500 0.013 0.000 2.691 109 R HA 0.546 4.906 4.340 0.033 0.000 0.259 109 R C 0.133 176.452 176.300 0.032 0.000 1.048 109 R CA -0.944 55.154 56.100 -0.003 0.000 1.086 109 R CB 0.836 31.103 30.300 -0.054 0.000 1.166 109 R HN 0.561 nan 8.270 nan 0.000 0.526 110 I N 2.529 122.990 120.570 -0.181 0.000 2.440 110 I HA 0.168 4.358 4.170 0.033 0.000 0.294 110 I C 0.587 176.549 176.117 -0.259 0.000 0.995 110 I CA -0.352 60.738 61.300 -0.350 0.000 1.306 110 I CB 0.777 38.447 38.000 -0.550 0.000 1.407 110 I HN 0.444 nan 8.210 nan 0.000 0.501 111 H N 5.484 124.444 119.070 -0.184 0.000 2.667 111 H HA 0.391 4.966 4.556 0.033 0.000 0.353 111 H C -1.045 174.345 175.328 0.103 0.000 1.072 111 H CA -1.125 54.874 56.048 -0.081 0.000 1.214 111 H CB 1.266 31.034 29.762 0.010 0.000 1.600 111 H HN 0.497 nan 8.280 nan 0.000 0.527 112 K N 1.902 122.460 120.400 0.264 0.000 2.550 112 K HA 0.273 4.613 4.320 0.033 0.000 0.280 112 K C 0.235 176.798 176.600 -0.061 0.000 0.987 112 K CA 1.790 58.090 56.287 0.021 0.000 1.048 112 K CB 0.019 32.543 32.500 0.040 0.000 0.879 112 K HN 1.041 nan 8.250 nan 0.000 0.491 113 G N 2.746 111.472 108.800 -0.123 0.000 2.347 113 G HA2 -0.069 3.911 3.960 0.033 0.000 0.341 113 G HA3 -0.069 3.911 3.960 0.033 0.000 0.341 113 G C -1.792 173.049 174.900 -0.098 0.000 1.287 113 G CA -0.891 44.165 45.100 -0.074 0.000 0.984 113 G HN 0.571 nan 8.290 nan 0.000 0.526 114 D N 0.351 120.735 120.400 -0.027 0.000 2.217 114 D HA 0.701 5.360 4.640 0.033 0.000 0.248 114 D C 0.622 176.936 176.300 0.023 0.000 1.008 114 D CA -0.189 53.802 54.000 -0.015 0.000 0.914 114 D CB 1.840 42.642 40.800 0.003 0.000 1.182 114 D HN 0.795 nan 8.370 nan 0.000 0.451 115 R N -0.393 120.126 120.500 0.032 0.000 2.740 115 R HA 0.498 4.858 4.340 0.033 0.000 0.273 115 R C -0.668 175.675 176.300 0.072 0.000 0.998 115 R CA -0.942 55.204 56.100 0.077 0.000 0.900 115 R CB 1.087 31.452 30.300 0.109 0.000 1.223 115 R HN 0.114 nan 8.270 nan 0.000 0.466 116 M N 1.760 121.411 119.600 0.084 0.000 2.246 116 M HA 0.353 4.853 4.480 0.033 0.000 0.350 116 M C -0.306 176.052 176.300 0.097 0.000 1.406 116 M CA 0.130 55.475 55.300 0.075 0.000 1.089 116 M CB 0.672 33.317 32.600 0.074 0.000 1.782 116 M HN 0.858 nan 8.290 nan 0.000 0.457 117 A N 5.471 128.346 122.820 0.092 0.000 2.475 117 A HA 0.865 5.205 4.320 0.033 0.000 0.301 117 A C -0.827 176.835 177.584 0.131 0.000 1.059 117 A CA -0.763 51.361 52.037 0.144 0.000 0.710 117 A CB 1.402 20.501 19.000 0.164 0.000 1.288 117 A HN 0.794 nan 8.150 nan 0.000 0.408 118 I N 2.556 123.224 120.570 0.164 0.000 2.355 118 I HA 0.351 4.541 4.170 0.033 0.000 0.288 118 I C -0.034 176.195 176.117 0.188 0.000 0.999 118 I CA -0.079 61.291 61.300 0.116 0.000 1.163 118 I CB 1.398 39.429 38.000 0.051 0.000 1.316 118 I HN 0.639 nan 8.210 nan 0.000 0.454 119 I N 4.044 124.709 120.570 0.159 0.000 4.288 119 I HA 0.076 4.266 4.170 0.033 0.000 0.331 119 I C 0.748 176.927 176.117 0.104 0.000 1.322 119 I CA 0.022 61.440 61.300 0.196 0.000 1.149 119 I CB 0.018 38.115 38.000 0.161 0.000 1.112 119 I HN 0.635 nan 8.210 nan 0.000 0.403 120 N N 1.384 120.119 118.700 0.059 0.000 2.653 120 N HA -0.259 4.501 4.740 0.033 0.000 0.248 120 N C 0.888 176.413 175.510 0.024 0.000 1.154 120 N CA 1.242 54.307 53.050 0.024 0.000 0.780 120 N CB -0.683 37.808 38.487 0.007 0.000 1.155 120 N HN 0.573 nan 8.380 nan 0.000 0.570 121 A N -0.551 122.292 122.820 0.039 0.000 2.508 121 A HA 0.255 4.594 4.320 0.033 0.000 0.250 121 A C 0.440 178.039 177.584 0.026 0.000 1.208 121 A CA 0.221 52.277 52.037 0.032 0.000 0.960 121 A CB 0.829 19.856 19.000 0.045 0.000 1.099 121 A HN 0.238 nan 8.150 nan 0.000 0.542 122 Q N 0.405 120.222 119.800 0.028 0.000 3.284 122 Q HA 0.019 4.378 4.340 0.033 0.000 0.182 122 Q C -1.259 174.758 176.000 0.028 0.000 0.852 122 Q CA -0.163 55.652 55.803 0.020 0.000 1.325 122 Q CB 0.412 29.159 28.738 0.014 0.000 1.536 122 Q HN 0.546 nan 8.270 nan 0.000 0.639 123 K N 0.289 120.702 120.400 0.020 0.000 3.233 123 K HA 0.107 4.446 4.320 0.033 0.000 0.283 123 K C 0.382 176.993 176.600 0.019 0.000 1.209 123 K CA 0.041 56.342 56.287 0.023 0.000 1.197 123 K CB 0.275 32.776 32.500 0.001 0.000 1.431 123 K HN 0.265 nan 8.250 nan 0.000 0.326 124 T N 0.202 114.769 114.554 0.021 0.000 2.793 124 T HA 0.102 4.472 4.350 0.033 0.000 0.299 124 T C -0.173 174.537 174.700 0.017 0.000 1.038 124 T CA -0.089 62.018 62.100 0.012 0.000 0.948 124 T CB 1.046 69.915 68.868 0.001 0.000 1.231 124 T HN 0.329 nan 8.240 nan 0.000 0.538 125 T N 1.273 115.831 114.554 0.007 0.000 2.902 125 T HA 0.639 5.009 4.350 0.033 0.000 0.283 125 T C -0.450 174.243 174.700 -0.013 0.000 1.009 125 T CA -0.422 61.683 62.100 0.009 0.000 1.051 125 T CB 0.335 69.208 68.868 0.010 0.000 0.999 125 T HN 0.402 nan 8.240 nan 0.000 0.474 126 I N 1.981 122.544 120.570 -0.013 0.000 2.493 126 I HA 0.385 4.575 4.170 0.033 0.000 0.298 126 I C 0.075 176.162 176.117 -0.049 0.000 0.998 126 I CA -0.748 60.523 61.300 -0.048 0.000 1.137 126 I CB 2.264 40.226 38.000 -0.064 0.000 1.310 126 I HN 0.469 nan 8.210 nan 0.000 0.445 127 T N 4.291 118.802 114.554 -0.072 0.000 2.779 127 T HA 0.325 4.695 4.350 0.033 0.000 0.280 127 T C -0.537 174.089 174.700 -0.123 0.000 0.987 127 T CA -0.690 61.360 62.100 -0.083 0.000 0.966 127 T CB 1.221 70.049 68.868 -0.066 0.000 0.933 127 T HN 0.351 nan 8.240 nan 0.000 0.442 128 E N 2.906 123.010 120.200 -0.159 0.000 2.113 128 E HA 0.329 4.699 4.350 0.033 0.000 0.273 128 E C -0.123 176.325 176.600 -0.255 0.000 0.924 128 E CA -0.672 55.593 56.400 -0.224 0.000 0.764 128 E CB 1.537 31.082 29.700 -0.259 0.000 1.104 128 E HN 0.524 nan 8.360 nan 0.000 0.406 129 E N 1.253 121.233 120.200 -0.367 0.000 2.447 129 E HA -0.078 4.292 4.350 0.033 0.000 0.259 129 E C 0.785 177.134 176.600 -0.419 0.000 1.196 129 E CA 0.224 56.355 56.400 -0.447 0.000 0.995 129 E CB 0.446 29.623 29.700 -0.871 0.000 0.974 129 E HN 0.443 nan 8.360 nan 0.000 0.465 130 D N -0.182 120.065 120.400 -0.254 0.000 2.224 130 D HA -0.163 4.497 4.640 0.033 0.000 0.205 130 D C 1.267 177.533 176.300 -0.057 0.000 0.965 130 D CA 0.713 54.650 54.000 -0.104 0.000 0.852 130 D CB -0.484 40.307 40.800 -0.015 0.000 0.947 130 D HN 0.493 nan 8.370 nan 0.000 0.494 131 F N -0.209 119.747 119.950 0.010 0.000 2.811 131 F HA 0.405 4.952 4.527 0.033 0.000 0.301 131 F C 1.702 177.507 175.800 0.009 0.000 1.151 131 F CA -0.465 57.541 58.000 0.010 0.000 1.412 131 F CB -0.169 38.829 39.000 -0.003 0.000 1.113 131 F HN -0.209 nan 8.300 nan 0.000 0.579 132 R N -0.764 119.509 120.500 -0.378 0.000 2.265 132 R HA 0.022 4.382 4.340 0.033 0.000 0.194 132 R C 0.583 176.804 176.300 -0.132 0.000 0.931 132 R CA -0.081 55.861 56.100 -0.262 0.000 1.032 132 R CB -0.406 29.639 30.300 -0.426 0.000 0.980 132 R HN 0.305 nan 8.270 nan 0.000 0.497 133 H N 0.676 119.649 119.070 -0.163 0.000 3.125 133 H HA -0.067 4.509 4.556 0.033 0.000 0.310 133 H C 0.974 176.278 175.328 -0.040 0.000 0.980 133 H CA 1.962 57.957 56.048 -0.088 0.000 1.422 133 H CB 0.550 30.282 29.762 -0.050 0.000 1.432 133 H HN 0.534 nan 8.280 nan 0.000 0.577 134 G N 4.353 112.922 108.800 -0.385 0.000 2.199 134 G HA2 -0.240 3.739 3.960 0.033 0.000 0.254 134 G HA3 -0.240 3.739 3.960 0.033 0.000 0.254 134 G C 0.377 175.222 174.900 -0.092 0.000 0.982 134 G CA 0.292 45.282 45.100 -0.182 0.000 0.632 134 G HN 0.566 nan 8.290 nan 0.000 0.529 135 L N 0.712 121.871 121.223 -0.107 0.000 2.454 135 L HA 0.537 4.897 4.340 0.033 0.000 0.256 135 L C 1.363 178.167 176.870 -0.111 0.000 1.136 135 L CA -1.136 53.654 54.840 -0.085 0.000 0.804 135 L CB 0.694 42.706 42.059 -0.077 0.000 1.181 135 L HN 0.038 nan 8.230 nan 0.000 0.469 136 I N 1.148 121.654 120.570 -0.108 0.000 2.598 136 I HA -0.029 4.160 4.170 0.033 0.000 0.284 136 I C 0.600 176.657 176.117 -0.099 0.000 1.140 136 I CA 0.115 61.337 61.300 -0.129 0.000 1.420 136 I CB 0.008 37.846 38.000 -0.271 0.000 1.387 136 I HN 0.448 nan 8.210 nan 0.000 0.553 137 H N 4.865 123.855 119.070 -0.133 0.000 2.581 137 H HA 0.456 5.032 4.556 0.033 0.000 0.369 137 H C -0.445 174.888 175.328 0.009 0.000 1.351 137 H CA -0.149 55.865 56.048 -0.057 0.000 1.434 137 H CB 1.391 31.126 29.762 -0.045 0.000 1.558 137 H HN 0.533 nan 8.280 nan 0.000 0.608 138 S N -0.213 115.838 115.700 0.586 0.000 2.579 138 S HA 0.550 5.040 4.470 0.033 0.000 0.272 138 S C -0.901 173.959 174.600 0.433 0.000 1.141 138 S CA -0.968 57.491 58.200 0.432 0.000 0.843 138 S CB 2.466 65.843 63.200 0.296 0.000 1.122 138 S HN 0.728 nan 8.310 nan 0.000 0.468 139 R N 0.041 120.674 120.500 0.222 0.000 2.867 139 R HA 0.699 5.058 4.340 0.033 0.000 0.268 139 R C -1.655 174.443 176.300 -0.337 0.000 1.014 139 R CA -0.891 55.147 56.100 -0.103 0.000 0.946 139 R CB 0.688 30.698 30.300 -0.482 0.000 1.208 139 R HN 0.437 nan 8.270 nan 0.000 0.477 140 D N 0.963 120.764 120.400 -0.998 0.000 2.339 140 D HA 0.244 4.904 4.640 0.033 0.000 0.256 140 D C -1.536 174.494 176.300 -0.450 0.000 1.214 140 D CA 0.406 53.622 54.000 -1.306 0.000 0.877 140 D CB 0.275 39.898 40.800 -1.962 0.000 1.111 140 D HN 0.440 nan 8.370 nan 0.000 0.478 141 F N 2.431 122.117 119.950 -0.439 0.000 2.652 141 F HA 0.451 4.998 4.527 0.033 0.000 0.320 141 F C 0.544 176.232 175.800 -0.186 0.000 1.115 141 F CA 0.254 58.088 58.000 -0.276 0.000 1.053 141 F CB 1.257 40.120 39.000 -0.228 0.000 1.297 141 F HN 0.462 nan 8.300 nan 0.000 0.471 142 G N 2.373 110.693 108.800 -0.800 0.000 2.176 142 G HA2 0.182 4.162 3.960 0.033 0.000 0.232 142 G HA3 0.182 4.162 3.960 0.033 0.000 0.232 142 G C 1.295 175.988 174.900 -0.345 0.000 0.986 142 G CA 0.734 45.487 45.100 -0.579 0.000 0.643 142 G HN 2.360 nan 8.290 nan 0.000 0.522 143 G N -1.046 107.578 108.800 -0.294 0.000 2.189 143 G HA2 0.002 3.982 3.960 0.033 0.000 0.267 143 G HA3 0.002 3.982 3.960 0.033 0.000 0.267 143 G C 0.870 175.710 174.900 -0.101 0.000 0.975 143 G CA 1.669 46.653 45.100 -0.193 0.000 0.644 143 G HN 2.404 nan 8.290 nan 0.000 0.537 144 T N -1.685 112.825 114.554 -0.074 0.000 2.919 144 T HA 0.472 4.842 4.350 0.033 0.000 0.302 144 T C 1.292 176.045 174.700 0.089 0.000 1.031 144 T CA 0.550 62.655 62.100 0.007 0.000 1.127 144 T CB 2.077 70.960 68.868 0.025 0.000 0.952 144 T HN 0.357 nan 8.240 nan 0.000 0.540 145 K N 0.922 121.383 120.400 0.101 0.000 2.057 145 K HA -0.079 4.261 4.320 0.033 0.000 0.207 145 K C 0.806 177.535 176.600 0.214 0.000 1.049 145 K CA 1.029 57.401 56.287 0.142 0.000 0.931 145 K CB 0.001 32.555 32.500 0.090 0.000 0.714 145 K HN 0.462 nan 8.250 nan 0.000 0.440 146 K N 0.771 121.275 120.400 0.174 0.000 2.276 146 K HA 0.026 4.366 4.320 0.033 0.000 0.285 146 K C -1.458 175.330 176.600 0.314 0.000 1.062 146 K CA -0.345 56.049 56.287 0.178 0.000 0.918 146 K CB 0.387 32.941 32.500 0.090 0.000 1.055 146 K HN 0.018 nan 8.250 nan 0.000 0.477 147 W N 5.544 126.847 121.300 0.005 0.000 2.605 147 W HA 0.182 4.862 4.660 0.034 0.000 0.327 147 W C 0.714 177.239 176.519 0.011 0.000 1.332 147 W CA -0.422 56.935 57.345 0.019 0.000 1.403 147 W CB 0.025 29.508 29.460 0.038 0.000 1.452 147 W HN 0.621 nan 8.180 nan 0.000 0.503 148 R N 0.135 120.735 120.500 0.167 0.000 2.590 148 R HA 0.242 4.601 4.340 0.033 0.000 0.410 148 R C -0.103 176.218 176.300 0.036 0.000 1.010 148 R CA -0.360 55.773 56.100 0.054 0.000 1.155 148 R CB -0.200 30.052 30.300 -0.080 0.000 1.455 148 R HN -0.007 nan 8.270 nan 0.000 0.567 149 T N 1.802 116.414 114.554 0.097 0.000 2.739 149 T HA 0.250 4.620 4.350 0.033 0.000 0.298 149 T C -0.016 174.788 174.700 0.173 0.000 0.929 149 T CA -0.195 61.971 62.100 0.110 0.000 1.014 149 T CB 0.332 69.278 68.868 0.132 0.000 0.914 149 T HN 0.271 nan 8.240 nan 0.000 0.509 150 C N 4.634 123.994 119.300 0.099 0.000 2.534 150 C HA 0.704 5.184 4.460 0.033 0.000 0.385 150 C C -0.123 175.098 174.990 0.385 0.000 1.264 150 C CA -0.832 58.223 59.018 0.062 0.000 2.342 150 C CB -1.017 26.438 27.740 -0.475 0.000 2.564 150 C HN 0.922 nan 8.230 nan 0.000 0.603 151 Y N -1.354 119.128 120.300 0.303 0.000 2.624 151 Y HA 0.613 5.183 4.550 0.033 0.000 0.334 151 Y C -0.323 175.789 175.900 0.353 0.000 1.155 151 Y CA -1.360 56.934 58.100 0.324 0.000 1.046 151 Y CB 0.628 39.119 38.460 0.051 0.000 1.316 151 Y HN 0.576 nan 8.280 nan 0.000 0.457 152 T N 0.477 115.129 114.554 0.164 0.000 3.253 152 T HA 0.712 5.081 4.350 0.033 0.000 0.391 152 T C 0.529 175.268 174.700 0.065 0.000 1.527 152 T CA -0.010 62.075 62.100 -0.027 0.000 1.268 152 T CB -0.035 68.694 68.868 -0.233 0.000 1.126 152 T HN 2.179 nan 8.240 nan 0.000 0.620 153 A N 3.712 126.633 122.820 0.169 0.000 5.584 153 A HA -0.234 4.106 4.320 0.033 0.000 0.303 153 A C 1.170 178.852 177.584 0.162 0.000 1.923 153 A CA 1.210 53.367 52.037 0.199 0.000 0.717 153 A CB -1.693 17.346 19.000 0.065 0.000 1.281 153 A HN 1.038 nan 8.150 nan 0.000 0.379 154 D N 0.008 120.433 120.400 0.043 0.000 2.427 154 D HA 0.513 5.173 4.640 0.033 0.000 0.224 154 D C 0.283 176.563 176.300 -0.033 0.000 1.157 154 D CA 0.997 54.989 54.000 -0.014 0.000 0.828 154 D CB -0.280 40.497 40.800 -0.039 0.000 0.974 154 D HN 1.575 nan 8.370 nan 0.000 0.498 155 A N -0.039 122.769 122.820 -0.020 0.000 2.992 155 A HA 0.348 4.688 4.320 0.033 0.000 0.263 155 A C 1.293 178.869 177.584 -0.013 0.000 0.928 155 A CA -0.502 51.518 52.037 -0.029 0.000 1.061 155 A CB -0.016 18.950 19.000 -0.056 0.000 1.173 155 A HN 0.036 nan 8.150 nan 0.000 0.482 156 T N -0.021 114.522 114.554 -0.017 0.000 2.652 156 T HA -0.140 4.230 4.350 0.033 0.000 0.267 156 T C 2.178 176.845 174.700 -0.055 0.000 1.039 156 T CA 2.337 64.414 62.100 -0.037 0.000 1.153 156 T CB -0.281 68.621 68.868 0.055 0.000 0.863 156 T HN 0.680 nan 8.240 nan 0.000 0.428 157 G N 0.645 109.434 108.800 -0.019 0.000 2.446 157 G HA2 -0.334 3.646 3.960 0.033 0.000 0.217 157 G HA3 -0.334 3.646 3.960 0.033 0.000 0.217 157 G C 1.259 176.160 174.900 0.001 0.000 1.168 157 G CA 1.611 46.705 45.100 -0.009 0.000 0.771 157 G HN 0.654 nan 8.290 nan 0.000 0.551 158 H N 1.422 120.430 119.070 -0.103 0.000 2.251 158 H HA -0.181 4.394 4.556 0.033 0.000 0.294 158 H C 2.861 178.076 175.328 -0.188 0.000 1.078 158 H CA 3.346 59.299 56.048 -0.158 0.000 1.246 158 H CB -0.711 28.898 29.762 -0.255 0.000 1.358 158 H HN 0.359 nan 8.280 nan 0.000 0.488 159 T N -1.685 112.645 114.554 -0.373 0.000 2.746 159 T HA -0.203 4.166 4.350 0.033 0.000 0.267 159 T C 2.295 176.852 174.700 -0.238 0.000 1.039 159 T CA 1.731 63.586 62.100 -0.408 0.000 1.142 159 T CB -0.442 68.235 68.868 -0.320 0.000 0.866 159 T HN 0.341 nan 8.240 nan 0.000 0.444 160 M N 0.274 119.757 119.600 -0.195 0.000 2.065 160 M HA 0.042 4.542 4.480 0.033 0.000 0.259 160 M C 2.375 178.688 176.300 0.022 0.000 1.069 160 M CA 1.549 56.791 55.300 -0.096 0.000 1.110 160 M CB -0.547 32.024 32.600 -0.047 0.000 1.328 160 M HN 0.249 nan 8.290 nan 0.000 0.405 161 L N -0.224 121.025 121.223 0.044 0.000 2.042 161 L HA -0.176 4.184 4.340 0.033 0.000 0.210 161 L C 2.049 178.995 176.870 0.126 0.000 1.076 161 L CA 1.884 56.782 54.840 0.097 0.000 0.749 161 L CB -0.636 41.499 42.059 0.127 0.000 0.893 161 L HN 0.087 nan 8.230 nan 0.000 0.432 162 F N -0.156 119.688 119.950 -0.176 0.000 2.134 162 F HA -0.177 4.370 4.527 0.033 0.000 0.299 162 F C 2.493 178.229 175.800 -0.107 0.000 1.097 162 F CA 1.101 58.996 58.000 -0.175 0.000 1.264 162 F CB -1.297 37.524 39.000 -0.299 0.000 1.001 162 F HN 0.204 nan 8.300 nan 0.000 0.479 163 A N -0.341 122.545 122.820 0.110 0.000 1.877 163 A HA -0.128 4.212 4.320 0.033 0.000 0.216 163 A C 2.403 180.032 177.584 0.074 0.000 1.186 163 A CA 1.964 54.062 52.037 0.102 0.000 0.620 163 A CB -1.213 17.896 19.000 0.181 0.000 0.822 163 A HN 0.161 nan 8.150 nan 0.000 0.443 164 V N -0.167 119.828 119.914 0.134 0.000 2.427 164 V HA -0.208 3.932 4.120 0.033 0.000 0.248 164 V C 3.027 179.100 176.094 -0.035 0.000 1.051 164 V CA 1.803 64.170 62.300 0.112 0.000 1.048 164 V CB -1.193 30.737 31.823 0.178 0.000 0.666 164 V HN 0.616 nan 8.190 nan 0.000 0.456 165 A N 0.489 123.272 122.820 -0.062 0.000 1.902 165 A HA -0.219 4.121 4.320 0.033 0.000 0.217 165 A C 2.056 179.547 177.584 -0.154 0.000 1.181 165 A CA 2.000 53.962 52.037 -0.125 0.000 0.623 165 A CB -0.648 18.228 19.000 -0.205 0.000 0.818 165 A HN 0.572 nan 8.150 nan 0.000 0.443 166 N N -0.027 118.576 118.700 -0.162 0.000 2.244 166 N HA -0.105 4.655 4.740 0.033 0.000 0.183 166 N C 1.536 176.920 175.510 -0.210 0.000 1.016 166 N CA 1.094 54.044 53.050 -0.166 0.000 0.866 166 N CB -0.268 38.142 38.487 -0.128 0.000 0.980 166 N HN 0.452 nan 8.380 nan 0.000 0.430 167 E N 0.331 120.356 120.200 -0.291 0.000 2.106 167 E HA -0.043 4.327 4.350 0.033 0.000 0.192 167 E C 2.036 178.475 176.600 -0.268 0.000 0.984 167 E CA 0.302 56.443 56.400 -0.433 0.000 0.806 167 E CB -0.328 28.891 29.700 -0.802 0.000 0.750 167 E HN 0.307 nan 8.360 nan 0.000 0.458 168 C N 0.556 119.744 119.300 -0.187 0.000 2.429 168 C HA -0.075 4.405 4.460 0.033 0.000 0.277 168 C C 2.805 177.730 174.990 -0.108 0.000 1.262 168 C CA 0.393 59.339 59.018 -0.120 0.000 1.733 168 C CB -1.069 26.619 27.740 -0.086 0.000 2.010 168 C HN 0.371 nan 8.230 nan 0.000 0.483 169 L N 0.570 121.721 121.223 -0.119 0.000 2.056 169 L HA -0.158 4.202 4.340 0.033 0.000 0.207 169 L C 2.693 179.504 176.870 -0.097 0.000 1.078 169 L CA 1.499 56.279 54.840 -0.099 0.000 0.749 169 L CB -0.762 41.235 42.059 -0.104 0.000 0.901 169 L HN 0.381 nan 8.230 nan 0.000 0.433 170 K N 0.795 121.119 120.400 -0.125 0.000 2.063 170 K HA -0.163 4.177 4.320 0.033 0.000 0.208 170 K C 1.952 178.493 176.600 -0.099 0.000 1.048 170 K CA 1.303 57.519 56.287 -0.119 0.000 0.928 170 K CB -0.040 32.361 32.500 -0.165 0.000 0.713 170 K HN 0.292 nan 8.250 nan 0.000 0.442 171 L N -0.175 120.984 121.223 -0.106 0.000 2.610 171 L HA 0.072 4.432 4.340 0.033 0.000 0.232 171 L C 1.001 177.839 176.870 -0.053 0.000 1.149 171 L CA 0.556 55.351 54.840 -0.076 0.000 0.872 171 L CB -0.150 41.863 42.059 -0.076 0.000 0.992 171 L HN 0.550 nan 8.230 nan 0.000 0.447 172 G N 0.657 109.424 108.800 -0.055 0.000 2.182 172 G HA2 -0.240 3.740 3.960 0.033 0.000 0.248 172 G HA3 -0.240 3.740 3.960 0.033 0.000 0.248 172 G C 0.196 175.078 174.900 -0.030 0.000 1.042 172 G CA 0.071 45.147 45.100 -0.039 0.000 0.775 172 G HN 0.108 nan 8.290 nan 0.000 0.501 173 V N 0.252 120.145 119.914 -0.036 0.000 2.963 173 V HA 0.449 4.589 4.120 0.033 0.000 0.306 173 V C 1.322 177.405 176.094 -0.018 0.000 1.077 173 V CA 0.768 63.054 62.300 -0.023 0.000 1.124 173 V CB 1.766 33.572 31.823 -0.027 0.000 0.987 173 V HN 0.590 nan 8.190 nan 0.000 0.487 174 S N 4.835 120.533 115.700 -0.003 0.000 2.399 174 S HA 0.453 4.943 4.470 0.033 0.000 0.301 174 S C -0.383 174.218 174.600 0.001 0.000 1.093 174 S CA -0.591 57.612 58.200 0.007 0.000 1.077 174 S CB -0.472 62.746 63.200 0.030 0.000 0.980 174 S HN 0.476 nan 8.310 nan 0.000 0.494 175 I N 5.380 125.943 120.570 -0.012 0.000 2.297 175 I HA 0.246 4.436 4.170 0.033 0.000 0.291 175 I C 0.079 176.188 176.117 -0.013 0.000 1.033 175 I CA -0.195 61.092 61.300 -0.023 0.000 1.253 175 I CB 1.064 39.039 38.000 -0.041 0.000 1.396 175 I HN 0.517 nan 8.210 nan 0.000 0.476 176 Q N 6.036 125.828 119.800 -0.014 0.000 2.413 176 Q HA 0.215 4.575 4.340 0.033 0.000 0.258 176 Q C -0.862 175.123 176.000 -0.026 0.000 1.037 176 Q CA -0.878 54.924 55.803 -0.003 0.000 0.764 176 Q CB 1.748 30.505 28.738 0.031 0.000 1.217 176 Q HN 0.579 nan 8.270 nan 0.000 0.490 177 D N 1.137 121.527 120.400 -0.017 0.000 2.466 177 D HA 0.195 4.855 4.640 0.033 0.000 0.262 177 D C -0.068 176.228 176.300 -0.006 0.000 1.177 177 D CA -0.652 53.336 54.000 -0.019 0.000 1.035 177 D CB 0.668 41.456 40.800 -0.019 0.000 1.105 177 D HN 0.424 nan 8.370 nan 0.000 0.551 178 R N -1.787 118.711 120.500 -0.003 0.000 3.405 178 R HA -0.224 4.136 4.340 0.033 0.000 0.258 178 R C -0.764 175.545 176.300 0.015 0.000 1.030 178 R CA 0.716 56.823 56.100 0.011 0.000 0.691 178 R CB -1.607 28.704 30.300 0.019 0.000 1.093 178 R HN 0.382 nan 8.270 nan 0.000 0.448 179 K N 0.931 121.328 120.400 -0.005 0.000 2.471 179 K HA 0.304 4.644 4.320 0.033 0.000 0.252 179 K C -1.172 175.406 176.600 -0.036 0.000 0.938 179 K CA -0.681 55.594 56.287 -0.020 0.000 0.796 179 K CB 1.637 34.101 32.500 -0.061 0.000 1.161 179 K HN 0.218 nan 8.250 nan 0.000 0.425 180 E N 2.618 122.809 120.200 -0.015 0.000 2.210 180 E HA 0.615 4.985 4.350 0.033 0.000 0.266 180 E C -1.321 175.263 176.600 -0.027 0.000 0.883 180 E CA -1.015 55.382 56.400 -0.005 0.000 0.761 180 E CB 1.480 31.220 29.700 0.067 0.000 1.156 180 E HN 0.659 nan 8.360 nan 0.000 0.412 181 A N 5.252 128.045 122.820 -0.044 0.000 2.347 181 A HA 0.292 4.632 4.320 0.033 0.000 0.287 181 A C 0.746 178.321 177.584 -0.014 0.000 1.199 181 A CA -0.371 51.637 52.037 -0.048 0.000 0.851 181 A CB -0.397 18.564 19.000 -0.066 0.000 1.118 181 A HN 0.736 nan 8.150 nan 0.000 0.525 182 I N -0.515 120.044 120.570 -0.019 0.000 4.082 182 I HA 0.649 4.839 4.170 0.033 0.000 0.337 182 I C 0.379 176.500 176.117 0.006 0.000 1.352 182 I CA 0.289 61.578 61.300 -0.018 0.000 1.097 182 I CB 0.180 38.100 38.000 -0.133 0.000 1.048 182 I HN 0.575 nan 8.210 nan 0.000 0.393 183 A N 1.242 124.070 122.820 0.014 0.000 2.590 183 A HA 0.701 5.040 4.320 0.033 0.000 0.294 183 A C -1.656 175.936 177.584 0.014 0.000 1.046 183 A CA -0.532 51.531 52.037 0.043 0.000 0.684 183 A CB 0.974 20.039 19.000 0.108 0.000 1.279 183 A HN 0.202 nan 8.150 nan 0.000 0.415 184 L N 1.617 122.847 121.223 0.011 0.000 2.325 184 L HA 0.568 4.928 4.340 0.033 0.000 0.278 184 L C -0.537 176.209 176.870 -0.206 0.000 1.023 184 L CA -0.645 54.165 54.840 -0.051 0.000 0.811 184 L CB 1.678 43.716 42.059 -0.036 0.000 1.249 184 L HN 0.624 nan 8.230 nan 0.000 0.431 185 I N 2.556 122.922 120.570 -0.340 0.000 2.342 185 I HA 0.265 4.454 4.170 0.033 0.000 0.291 185 I C -0.442 175.469 176.117 -0.345 0.000 1.010 185 I CA -0.256 60.584 61.300 -0.766 0.000 1.308 185 I CB 0.541 38.297 38.000 -0.408 0.000 1.400 185 I HN 0.681 nan 8.210 nan 0.000 0.488 186 H N 3.761 122.556 119.070 -0.458 0.000 3.046 186 H HA 0.691 5.266 4.556 0.033 0.000 0.361 186 H C -1.326 174.084 175.328 0.136 0.000 1.235 186 H CA -0.947 55.021 56.048 -0.134 0.000 1.146 186 H CB 1.553 31.244 29.762 -0.118 0.000 1.859 186 H HN 0.534 nan 8.280 nan 0.000 0.548 187 Q N 1.068 120.973 119.800 0.175 0.000 2.386 187 Q HA 0.213 4.573 4.340 0.033 0.000 0.274 187 Q C -1.183 174.946 176.000 0.215 0.000 1.011 187 Q CA -0.644 55.303 55.803 0.240 0.000 0.867 187 Q CB 1.619 30.571 28.738 0.357 0.000 1.409 187 Q HN 0.933 nan 8.270 nan 0.000 0.395 188 D N 2.239 122.743 120.400 0.172 0.000 2.751 188 D HA -0.210 4.450 4.640 0.033 0.000 0.233 188 D C 0.564 176.921 176.300 0.096 0.000 1.149 188 D CA 1.751 55.829 54.000 0.131 0.000 0.682 188 D CB -1.486 39.398 40.800 0.140 0.000 1.068 188 D HN 1.112 nan 8.370 nan 0.000 0.429 189 G N -0.419 108.442 108.800 0.102 0.000 2.198 189 G HA2 -0.359 3.621 3.960 0.033 0.000 0.260 189 G HA3 -0.359 3.621 3.960 0.033 0.000 0.260 189 G C 0.083 174.964 174.900 -0.032 0.000 1.025 189 G CA 0.909 46.034 45.100 0.040 0.000 0.769 189 G HN 0.536 nan 8.290 nan 0.000 0.507 190 K N -1.023 119.318 120.400 -0.099 0.000 2.422 190 K HA 0.561 4.901 4.320 0.033 0.000 0.251 190 K C -0.385 175.910 176.600 -0.509 0.000 0.933 190 K CA -0.796 55.323 56.287 -0.279 0.000 0.798 190 K CB 2.328 34.646 32.500 -0.304 0.000 1.238 190 K HN 0.201 nan 8.250 nan 0.000 0.428 191 C N 2.997 122.063 119.300 -0.390 0.000 2.347 191 C HA 0.375 4.854 4.460 0.033 0.000 0.353 191 C C 0.107 174.890 174.990 -0.345 0.000 1.273 191 C CA -0.275 58.564 59.018 -0.300 0.000 1.861 191 C CB -0.891 26.775 27.740 -0.123 0.000 2.420 191 C HN 0.866 nan 8.230 nan 0.000 0.542 192 Y N 4.240 124.561 120.300 0.036 0.000 2.531 192 Y HA 0.451 5.021 4.550 0.033 0.000 0.249 192 Y C 1.311 177.225 175.900 0.024 0.000 1.168 192 Y CA 0.522 58.647 58.100 0.041 0.000 1.226 192 Y CB -0.098 38.376 38.460 0.023 0.000 1.177 192 Y HN 1.083 nan 8.280 nan 0.000 0.527 193 G N 0.003 108.868 108.800 0.108 0.000 2.260 193 G HA2 0.442 4.422 3.960 0.033 0.000 0.250 193 G HA3 0.442 4.422 3.960 0.033 0.000 0.250 193 G C -1.610 173.302 174.900 0.021 0.000 1.340 193 G CA -0.373 44.776 45.100 0.081 0.000 1.056 193 G HN 0.449 nan 8.290 nan 0.000 0.471 194 A N -1.495 121.353 122.820 0.047 0.000 2.572 194 A HA 0.806 5.146 4.320 0.033 0.000 0.295 194 A C -0.786 176.840 177.584 0.070 0.000 1.072 194 A CA -0.108 51.938 52.037 0.014 0.000 0.691 194 A CB 1.817 20.809 19.000 -0.013 0.000 1.291 194 A HN 1.819 nan 8.150 nan 0.000 0.404 195 V N 1.648 121.591 119.914 0.048 0.000 2.461 195 V HA 0.453 4.593 4.120 0.033 0.000 0.275 195 V C -0.119 176.017 176.094 0.070 0.000 1.047 195 V CA -0.202 62.153 62.300 0.092 0.000 0.955 195 V CB 1.040 32.926 31.823 0.105 0.000 0.988 195 V HN 0.632 nan 8.190 nan 0.000 0.471 196 V N 5.718 125.701 119.914 0.116 0.000 2.680 196 V HA 0.557 4.697 4.120 0.033 0.000 0.309 196 V C -0.004 176.128 176.094 0.064 0.000 1.052 196 V CA -0.919 61.418 62.300 0.062 0.000 0.908 196 V CB 2.123 33.961 31.823 0.024 0.000 1.001 196 V HN 0.879 nan 8.190 nan 0.000 0.431 197 R N 2.396 122.905 120.500 0.015 0.000 2.338 197 R HA 0.323 4.683 4.340 0.033 0.000 0.317 197 R C -0.685 175.643 176.300 0.047 0.000 0.968 197 R CA -0.564 55.545 56.100 0.016 0.000 0.849 197 R CB 1.085 31.356 30.300 -0.048 0.000 1.128 197 R HN 0.812 nan 8.270 nan 0.000 0.448 198 D N 5.439 125.878 120.400 0.065 0.000 2.325 198 D HA 0.024 4.683 4.640 0.033 0.000 0.251 198 D C 1.126 177.468 176.300 0.070 0.000 1.196 198 D CA -0.027 54.015 54.000 0.069 0.000 0.866 198 D CB 1.039 41.884 40.800 0.075 0.000 1.101 198 D HN 0.635 nan 8.370 nan 0.000 0.476 199 L N 3.336 124.599 121.223 0.066 0.000 2.353 199 L HA -0.141 4.219 4.340 0.033 0.000 0.220 199 L C 2.052 178.966 176.870 0.074 0.000 1.133 199 L CA 0.389 55.273 54.840 0.073 0.000 0.798 199 L CB -0.055 42.040 42.059 0.061 0.000 0.922 199 L HN 0.347 nan 8.230 nan 0.000 0.445 200 V N -1.128 118.830 119.914 0.072 0.000 2.436 200 V HA -0.134 4.005 4.120 0.033 0.000 0.240 200 V C 2.545 178.708 176.094 0.114 0.000 1.040 200 V CA 1.942 64.292 62.300 0.083 0.000 1.052 200 V CB -0.399 31.459 31.823 0.060 0.000 0.707 200 V HN 0.572 nan 8.190 nan 0.000 0.469 201 T N -2.517 112.089 114.554 0.088 0.000 3.035 201 T HA 0.261 4.631 4.350 0.033 0.000 0.259 201 T C 1.656 176.422 174.700 0.110 0.000 1.078 201 T CA 1.219 63.367 62.100 0.081 0.000 1.132 201 T CB 0.535 69.429 68.868 0.043 0.000 0.900 201 T HN 1.050 nan 8.240 nan 0.000 0.480 202 G N 1.370 110.229 108.800 0.098 0.000 2.176 202 G HA2 -0.186 3.794 3.960 0.033 0.000 0.253 202 G HA3 -0.186 3.794 3.960 0.033 0.000 0.253 202 G C -0.315 174.621 174.900 0.060 0.000 0.979 202 G CA 0.012 45.164 45.100 0.088 0.000 0.641 202 G HN 0.590 nan 8.290 nan 0.000 0.530 203 D N 0.229 120.663 120.400 0.057 0.000 2.414 203 D HA 0.387 5.047 4.640 0.033 0.000 0.242 203 D C 0.382 176.712 176.300 0.050 0.000 1.129 203 D CA 0.253 54.282 54.000 0.047 0.000 0.885 203 D CB 1.057 41.883 40.800 0.044 0.000 1.198 203 D HN 0.077 nan 8.370 nan 0.000 0.437 204 I N 3.063 123.659 120.570 0.043 0.000 2.321 204 I HA 0.278 4.468 4.170 0.033 0.000 0.291 204 I C 0.191 176.346 176.117 0.063 0.000 0.998 204 I CA -0.270 61.059 61.300 0.049 0.000 1.227 204 I CB 0.839 38.860 38.000 0.036 0.000 1.368 204 I HN 0.140 nan 8.210 nan 0.000 0.466 205 I N 5.154 125.784 120.570 0.100 0.000 2.608 205 I HA 0.689 4.878 4.170 0.033 0.000 0.295 205 I C -0.159 176.043 176.117 0.141 0.000 1.049 205 I CA -0.976 60.380 61.300 0.092 0.000 1.063 205 I CB 2.060 40.126 38.000 0.110 0.000 1.248 205 I HN 0.557 nan 8.210 nan 0.000 0.424 206 A N 5.118 127.973 122.820 0.059 0.000 2.260 206 A HA 0.640 4.980 4.320 0.033 0.000 0.308 206 A C -1.466 176.142 177.584 0.040 0.000 1.254 206 A CA -0.171 51.922 52.037 0.093 0.000 0.874 206 A CB 0.085 19.122 19.000 0.062 0.000 1.153 206 A HN 0.554 nan 8.150 nan 0.000 0.527 207 Y N 2.241 122.550 120.300 0.015 0.000 2.369 207 Y HA 0.421 4.990 4.550 0.031 0.000 0.337 207 Y C 0.439 176.342 175.900 0.006 0.000 0.961 207 Y CA -0.523 57.582 58.100 0.007 0.000 1.186 207 Y CB 1.696 40.152 38.460 -0.006 0.000 1.139 207 Y HN 0.613 nan 8.280 nan 0.000 0.494 208 V N 0.838 120.812 119.914 0.100 0.000 2.532 208 V HA 1.032 5.172 4.120 0.033 0.000 0.295 208 V C -0.222 175.848 176.094 -0.041 0.000 1.041 208 V CA -0.809 61.546 62.300 0.091 0.000 0.926 208 V CB 1.216 33.121 31.823 0.138 0.000 0.992 208 V HN 0.805 nan 8.190 nan 0.000 0.457 209 A N 3.186 126.007 122.820 0.002 0.000 2.599 209 A HA 0.680 5.020 4.320 0.033 0.000 0.290 209 A C 0.219 177.850 177.584 0.079 0.000 1.101 209 A CA -0.691 51.272 52.037 -0.122 0.000 0.674 209 A CB 1.562 20.518 19.000 -0.073 0.000 1.277 209 A HN 0.783 nan 8.150 nan 0.000 0.419 210 K N -0.163 120.272 120.400 0.059 0.000 2.366 210 K HA 0.247 4.587 4.320 0.033 0.000 0.198 210 K C 0.690 177.455 176.600 0.276 0.000 1.044 210 K CA 1.045 57.429 56.287 0.162 0.000 0.973 210 K CB 0.328 32.874 32.500 0.076 0.000 0.767 210 K HN 0.821 nan 8.250 nan 0.000 0.475 211 G N 0.069 109.007 108.800 0.230 0.000 2.753 211 G HA2 0.324 4.304 3.960 0.033 0.000 0.297 211 G HA3 0.324 4.304 3.960 0.033 0.000 0.297 211 G C -1.265 173.924 174.900 0.481 0.000 1.430 211 G CA -0.463 44.881 45.100 0.406 0.000 1.040 211 G HN -0.156 nan 8.290 nan 0.000 0.530 212 T N 1.566 116.367 114.554 0.412 0.000 2.824 212 T HA 0.579 4.949 4.350 0.033 0.000 0.282 212 T C -0.635 174.043 174.700 -0.037 0.000 0.993 212 T CA -0.367 61.848 62.100 0.193 0.000 0.967 212 T CB 1.673 70.592 68.868 0.084 0.000 0.960 212 T HN 0.491 nan 8.240 nan 0.000 0.441 213 L N 4.181 125.228 121.223 -0.293 0.000 2.333 213 L HA 0.658 5.018 4.340 0.033 0.000 0.280 213 L C -1.122 175.603 176.870 -0.243 0.000 1.004 213 L CA -0.870 53.690 54.840 -0.467 0.000 0.820 213 L CB 0.852 42.320 42.059 -0.984 0.000 1.247 213 L HN 0.651 nan 8.230 nan 0.000 0.416 214 I N 5.299 125.763 120.570 -0.177 0.000 2.312 214 I HA 0.407 4.597 4.170 0.033 0.000 0.290 214 I C 0.202 176.245 176.117 -0.124 0.000 1.008 214 I CA -0.185 61.038 61.300 -0.128 0.000 1.226 214 I CB 1.657 39.598 38.000 -0.098 0.000 1.371 214 I HN 0.750 nan 8.210 nan 0.000 0.468 215 A N 3.744 126.498 122.820 -0.109 0.000 3.253 215 A HA 0.264 4.604 4.320 0.033 0.000 0.290 215 A C 0.838 178.385 177.584 -0.063 0.000 0.950 215 A CA -0.378 51.605 52.037 -0.090 0.000 0.986 215 A CB -0.384 18.558 19.000 -0.097 0.000 1.104 215 A HN 0.729 nan 8.150 nan 0.000 0.481 216 T N -2.479 112.040 114.554 -0.057 0.000 3.169 216 T HA 0.451 4.820 4.350 0.033 0.000 0.250 216 T C 1.196 175.873 174.700 -0.039 0.000 1.111 216 T CA 0.789 62.863 62.100 -0.044 0.000 1.010 216 T CB -0.380 68.463 68.868 -0.042 0.000 0.984 216 T HN 2.047 nan 8.240 nan 0.000 0.537 217 G N 0.290 109.065 108.800 -0.041 0.000 2.642 217 G HA2 0.195 4.175 3.960 0.033 0.000 0.231 217 G HA3 0.195 4.175 3.960 0.033 0.000 0.231 217 G C 0.063 174.902 174.900 -0.102 0.000 1.338 217 G CA -0.573 44.494 45.100 -0.055 0.000 0.883 217 G HN 0.953 nan 8.290 nan 0.000 0.570 218 G N -1.644 107.047 108.800 -0.181 0.000 2.502 218 G HA2 0.671 4.651 3.960 0.033 0.000 0.305 218 G HA3 0.671 4.651 3.960 0.033 0.000 0.305 218 G C 0.210 174.986 174.900 -0.207 0.000 1.190 218 G CA 0.347 45.255 45.100 -0.319 0.000 0.933 218 G HN 1.671 nan 8.290 nan 0.000 0.503 219 Y N -1.287 118.916 120.300 -0.163 0.000 2.756 219 Y HA 0.451 5.021 4.550 0.033 0.000 0.300 219 Y C 1.674 177.528 175.900 -0.077 0.000 1.113 219 Y CA -0.829 57.204 58.100 -0.112 0.000 1.291 219 Y CB -0.013 38.389 38.460 -0.095 0.000 1.175 219 Y HN 0.447 nan 8.280 nan 0.000 0.534 220 G N 1.297 109.975 108.800 -0.203 0.000 2.462 220 G HA2 -0.208 3.772 3.960 0.033 0.000 0.220 220 G HA3 -0.208 3.772 3.960 0.033 0.000 0.220 220 G C 1.605 176.522 174.900 0.030 0.000 1.121 220 G CA 0.274 45.294 45.100 -0.134 0.000 0.758 220 G HN 0.229 nan 8.290 nan 0.000 0.559 221 R N 0.757 121.255 120.500 -0.002 0.000 2.343 221 R HA 0.083 4.443 4.340 0.033 0.000 0.202 221 R C 2.018 178.347 176.300 0.049 0.000 1.023 221 R CA 0.086 56.196 56.100 0.018 0.000 1.084 221 R CB -0.833 29.453 30.300 -0.023 0.000 0.956 221 R HN 0.763 nan 8.270 nan 0.000 0.478 222 I N -3.871 116.748 120.570 0.082 0.000 3.684 222 I HA 0.121 4.311 4.170 0.033 0.000 0.304 222 I C -0.245 175.799 176.117 -0.122 0.000 1.278 222 I CA 0.007 61.296 61.300 -0.019 0.000 1.272 222 I CB -0.045 37.925 38.000 -0.050 0.000 1.029 222 I HN -0.223 nan 8.210 nan 0.000 0.458 223 Y N 1.375 121.688 120.300 0.022 0.000 2.496 223 Y HA 0.344 4.914 4.550 0.033 0.000 0.331 223 Y C 1.386 177.306 175.900 0.033 0.000 1.140 223 Y CA -0.726 57.399 58.100 0.041 0.000 1.166 223 Y CB 1.566 40.042 38.460 0.027 0.000 1.249 223 Y HN -0.183 nan 8.280 nan 0.000 0.479 224 K N 0.822 121.351 120.400 0.214 0.000 2.076 224 K HA 0.035 4.375 4.320 0.033 0.000 0.204 224 K C -0.609 176.065 176.600 0.123 0.000 1.051 224 K CA 0.900 57.268 56.287 0.135 0.000 0.949 224 K CB -0.023 32.555 32.500 0.129 0.000 0.726 224 K HN 0.723 nan 8.250 nan 0.000 0.443 225 N N 0.610 119.415 118.700 0.174 0.000 2.444 225 N HA 0.106 4.866 4.740 0.033 0.000 0.262 225 N C -1.379 174.180 175.510 0.081 0.000 0.974 225 N CA -0.336 52.790 53.050 0.126 0.000 0.933 225 N CB 1.904 40.503 38.487 0.185 0.000 1.137 225 N HN 0.023 nan 8.380 nan 0.000 0.498 226 T N -0.921 113.644 114.554 0.018 0.000 2.885 226 T HA 0.176 4.545 4.350 0.033 0.000 0.322 226 T C 0.984 175.658 174.700 -0.043 0.000 1.387 226 T CA -0.561 61.511 62.100 -0.046 0.000 1.041 226 T CB 1.262 70.083 68.868 -0.078 0.000 1.287 226 T HN 0.495 nan 8.240 nan 0.000 0.491 227 T N 0.606 115.145 114.554 -0.026 0.000 3.043 227 T HA 0.171 4.541 4.350 0.033 0.000 0.263 227 T C 0.793 175.476 174.700 -0.028 0.000 1.094 227 T CA 0.261 62.373 62.100 0.020 0.000 1.127 227 T CB -0.683 68.299 68.868 0.189 0.000 0.905 227 T HN 0.654 nan 8.240 nan 0.000 0.490 228 N N 1.731 120.324 118.700 -0.179 0.000 2.305 228 N HA 0.362 5.122 4.740 0.033 0.000 0.232 228 N C 0.216 175.502 175.510 -0.374 0.000 1.274 228 N CA -0.203 52.553 53.050 -0.490 0.000 0.870 228 N CB 0.307 38.521 38.487 -0.455 0.000 1.105 228 N HN 0.517 nan 8.380 nan 0.000 0.436 229 A N 0.604 123.094 122.820 -0.551 0.000 2.346 229 A HA 0.104 4.444 4.320 0.033 0.000 0.252 229 A C 1.519 179.005 177.584 -0.163 0.000 1.089 229 A CA -0.592 51.328 52.037 -0.195 0.000 0.797 229 A CB 0.205 19.162 19.000 -0.071 0.000 1.047 229 A HN 0.658 nan 8.150 nan 0.000 0.494 230 V N -0.001 119.862 119.914 -0.086 0.000 3.078 230 V HA -0.084 4.056 4.120 0.033 0.000 0.265 230 V C 1.402 177.460 176.094 -0.060 0.000 1.122 230 V CA 2.052 64.313 62.300 -0.064 0.000 1.141 230 V CB -1.259 30.542 31.823 -0.037 0.000 0.735 230 V HN 1.153 nan 8.190 nan 0.000 0.498 231 V N -2.912 116.962 119.914 -0.066 0.000 3.633 231 V HA 0.316 4.456 4.120 0.033 0.000 0.283 231 V C 1.000 177.052 176.094 -0.070 0.000 1.305 231 V CA 0.037 62.305 62.300 -0.052 0.000 1.153 231 V CB -1.565 30.239 31.823 -0.031 0.000 0.950 231 V HN 0.543 nan 8.190 nan 0.000 0.432 232 C N 1.941 121.173 119.300 -0.113 0.000 2.379 232 C HA 0.470 4.950 4.460 0.033 0.000 0.476 232 C C 1.183 176.128 174.990 -0.074 0.000 1.068 232 C CA -0.363 58.580 59.018 -0.126 0.000 1.406 232 C CB -1.873 25.723 27.740 -0.240 0.000 1.496 232 C HN 0.640 nan 8.230 nan 0.000 0.551 233 E N 0.444 120.623 120.200 -0.036 0.000 2.501 233 E HA 0.217 4.587 4.350 0.033 0.000 0.200 233 E C 1.675 178.286 176.600 0.019 0.000 1.016 233 E CA 0.208 56.603 56.400 -0.008 0.000 0.921 233 E CB 0.423 30.109 29.700 -0.024 0.000 1.034 233 E HN 0.842 nan 8.360 nan 0.000 0.468 234 G N 2.285 111.108 108.800 0.038 0.000 2.166 234 G HA2 -0.407 3.573 3.960 0.033 0.000 0.260 234 G HA3 -0.407 3.573 3.960 0.033 0.000 0.260 234 G C 1.216 176.109 174.900 -0.012 0.000 0.986 234 G CA 1.091 46.221 45.100 0.050 0.000 0.683 234 G HN 0.448 nan 8.290 nan 0.000 0.527 235 T N -2.428 112.120 114.554 -0.011 0.000 2.833 235 T HA 0.082 4.452 4.350 0.033 0.000 0.269 235 T C 2.493 177.179 174.700 -0.023 0.000 1.054 235 T CA 1.696 63.790 62.100 -0.011 0.000 1.135 235 T CB -0.525 68.357 68.868 0.023 0.000 0.869 235 T HN 1.187 nan 8.240 nan 0.000 0.466 236 G N 1.514 110.299 108.800 -0.024 0.000 2.421 236 G HA2 -0.194 3.786 3.960 0.033 0.000 0.216 236 G HA3 -0.194 3.786 3.960 0.033 0.000 0.216 236 G C 1.715 176.584 174.900 -0.050 0.000 1.171 236 G CA 1.394 46.472 45.100 -0.037 0.000 0.775 236 G HN 0.530 nan 8.290 nan 0.000 0.543 237 T N 1.788 116.314 114.554 -0.048 0.000 2.684 237 T HA -0.025 4.344 4.350 0.033 0.000 0.267 237 T C 2.819 177.459 174.700 -0.100 0.000 1.036 237 T CA 1.664 63.721 62.100 -0.072 0.000 1.148 237 T CB -0.473 68.346 68.868 -0.083 0.000 0.863 237 T HN 0.392 nan 8.240 nan 0.000 0.436 238 A N 2.268 125.025 122.820 -0.105 0.000 1.865 238 A HA -0.106 4.234 4.320 0.033 0.000 0.217 238 A C 2.356 179.870 177.584 -0.116 0.000 1.191 238 A CA 1.905 53.862 52.037 -0.133 0.000 0.623 238 A CB -0.979 17.952 19.000 -0.115 0.000 0.826 238 A HN 0.737 nan 8.150 nan 0.000 0.444 239 I N -2.774 117.751 120.570 -0.075 0.000 2.454 239 I HA -0.097 4.093 4.170 0.033 0.000 0.254 239 I C 2.271 178.344 176.117 -0.073 0.000 1.156 239 I CA 1.484 62.749 61.300 -0.058 0.000 1.433 239 I CB -0.459 37.521 38.000 -0.033 0.000 1.082 239 I HN 0.212 nan 8.210 nan 0.000 0.432 240 A N 1.774 124.542 122.820 -0.087 0.000 1.874 240 A HA -0.058 4.282 4.320 0.033 0.000 0.214 240 A C 2.257 179.778 177.584 -0.106 0.000 1.189 240 A CA 1.386 53.362 52.037 -0.100 0.000 0.615 240 A CB -0.830 18.113 19.000 -0.095 0.000 0.830 240 A HN 0.488 nan 8.150 nan 0.000 0.443 241 L N 0.388 121.550 121.223 -0.102 0.000 2.131 241 L HA -0.101 4.259 4.340 0.033 0.000 0.210 241 L C 1.751 178.572 176.870 -0.081 0.000 1.092 241 L CA 2.055 56.846 54.840 -0.083 0.000 0.759 241 L CB -0.502 41.493 42.059 -0.107 0.000 0.903 241 L HN 0.482 nan 8.230 nan 0.000 0.435 242 E N -1.106 119.020 120.200 -0.123 0.000 2.526 242 E HA -0.098 4.272 4.350 0.033 0.000 0.198 242 E C 1.546 178.132 176.600 -0.022 0.000 1.091 242 E CA 0.837 57.172 56.400 -0.108 0.000 0.880 242 E CB -0.138 29.486 29.700 -0.126 0.000 0.873 242 E HN 0.719 nan 8.360 nan 0.000 0.527 243 T N -3.671 110.835 114.554 -0.079 0.000 3.067 243 T HA 0.156 4.526 4.350 0.033 0.000 0.257 243 T C 1.713 176.334 174.700 -0.132 0.000 1.105 243 T CA 0.506 62.482 62.100 -0.207 0.000 1.104 243 T CB 0.388 68.943 68.868 -0.521 0.000 0.925 243 T HN 0.226 nan 8.240 nan 0.000 0.498 244 G N 1.178 109.959 108.800 -0.031 0.000 2.212 244 G HA2 -0.264 3.715 3.960 0.033 0.000 0.266 244 G HA3 -0.264 3.715 3.960 0.033 0.000 0.266 244 G C 0.740 175.630 174.900 -0.017 0.000 0.978 244 G CA 0.546 45.666 45.100 0.032 0.000 0.632 244 G HN 0.514 nan 8.290 nan 0.000 0.537 245 I N 0.678 121.192 120.570 -0.094 0.000 3.132 245 I HA 0.396 4.586 4.170 0.033 0.000 0.255 245 I C 2.071 178.134 176.117 -0.091 0.000 1.118 245 I CA 0.911 62.156 61.300 -0.092 0.000 1.463 245 I CB -1.461 36.459 38.000 -0.134 0.000 1.356 245 I HN 0.374 nan 8.210 nan 0.000 0.463 246 A N 1.932 124.679 122.820 -0.122 0.000 2.466 246 A HA 0.223 4.563 4.320 0.033 0.000 0.238 246 A C 0.094 177.632 177.584 -0.076 0.000 1.074 246 A CA 0.196 52.169 52.037 -0.107 0.000 0.774 246 A CB 0.052 18.977 19.000 -0.125 0.000 1.015 246 A HN 0.464 nan 8.150 nan 0.000 0.498 247 Q N 0.005 119.763 119.800 -0.070 0.000 2.348 247 Q HA 0.646 5.006 4.340 0.033 0.000 0.271 247 Q C -1.256 174.709 176.000 -0.059 0.000 1.067 247 Q CA -0.649 55.120 55.803 -0.057 0.000 0.839 247 Q CB 2.087 30.792 28.738 -0.055 0.000 1.354 247 Q HN 0.674 nan 8.270 nan 0.000 0.447 248 L N 0.701 121.888 121.223 -0.059 0.000 2.309 248 L HA 0.676 5.036 4.340 0.033 0.000 0.282 248 L C 0.301 177.137 176.870 -0.057 0.000 1.036 248 L CA -0.860 53.941 54.840 -0.064 0.000 0.806 248 L CB 1.413 43.419 42.059 -0.088 0.000 1.220 248 L HN 0.691 nan 8.230 nan 0.000 0.429 249 G N 0.742 109.519 108.800 -0.040 0.000 2.372 249 G HA2 0.276 4.255 3.960 0.033 0.000 0.323 249 G HA3 0.276 4.255 3.960 0.033 0.000 0.323 249 G C 0.013 174.886 174.900 -0.044 0.000 1.152 249 G CA -0.412 44.670 45.100 -0.029 0.000 0.906 249 G HN 0.733 nan 8.290 nan 0.000 0.460 250 N N 1.214 119.884 118.700 -0.050 0.000 2.707 250 N HA -0.159 4.601 4.740 0.033 0.000 0.253 250 N C 1.537 176.987 175.510 -0.100 0.000 0.998 250 N CA 0.452 53.434 53.050 -0.112 0.000 0.751 250 N CB -0.332 37.961 38.487 -0.324 0.000 0.920 250 N HN 0.470 nan 8.380 nan 0.000 0.539 251 M N -0.195 119.368 119.600 -0.061 0.000 2.346 251 M HA -0.144 4.355 4.480 0.033 0.000 0.263 251 M C 1.997 178.311 176.300 0.023 0.000 1.064 251 M CA 1.396 56.669 55.300 -0.045 0.000 1.083 251 M CB -0.449 32.048 32.600 -0.171 0.000 1.399 251 M HN 0.407 nan 8.290 nan 0.000 0.435 252 E N 0.264 120.450 120.200 -0.023 0.000 2.427 252 E HA 0.032 4.402 4.350 0.033 0.000 0.196 252 E C 0.369 176.975 176.600 0.009 0.000 1.028 252 E CA 0.460 56.850 56.400 -0.018 0.000 0.864 252 E CB -0.310 29.304 29.700 -0.142 0.000 0.813 252 E HN 0.306 nan 8.360 nan 0.000 0.514 253 A N 2.167 124.943 122.820 -0.073 0.000 2.915 253 A HA 0.396 4.736 4.320 0.033 0.000 0.292 253 A C -0.240 177.336 177.584 -0.013 0.000 1.632 253 A CA -0.419 51.547 52.037 -0.119 0.000 1.337 253 A CB -0.082 18.606 19.000 -0.521 0.000 1.111 253 A HN 0.072 nan 8.150 nan 0.000 0.569 254 V N 2.488 122.451 119.914 0.082 0.000 2.483 254 V HA 0.349 4.489 4.120 0.033 0.000 0.295 254 V C 0.184 176.293 176.094 0.025 0.000 1.035 254 V CA -0.498 61.795 62.300 -0.013 0.000 0.896 254 V CB 1.652 33.486 31.823 0.018 0.000 0.986 254 V HN 0.911 nan 8.190 nan 0.000 0.447 255 Q N 2.558 122.303 119.800 -0.091 0.000 2.274 255 Q HA 0.619 4.979 4.340 0.033 0.000 0.260 255 Q C -1.779 174.159 176.000 -0.103 0.000 0.974 255 Q CA -0.481 55.347 55.803 0.042 0.000 0.876 255 Q CB 1.607 30.406 28.738 0.102 0.000 1.297 255 Q HN 0.591 nan 8.270 nan 0.000 0.446 256 F N 0.836 120.764 119.950 -0.037 0.000 2.507 256 F HA 0.360 4.907 4.527 0.034 0.000 0.327 256 F C -0.193 175.580 175.800 -0.044 0.000 1.068 256 F CA -0.698 57.276 58.000 -0.044 0.000 0.965 256 F CB 1.501 40.439 39.000 -0.103 0.000 1.192 256 F HN 0.608 nan 8.300 nan 0.000 0.476 257 H N 3.412 122.502 119.070 0.032 0.000 2.457 257 H HA 0.364 4.940 4.556 0.034 0.000 0.335 257 H C -2.017 173.286 175.328 -0.042 0.000 1.115 257 H CA -2.094 53.872 56.048 -0.137 0.000 1.219 257 H CB 2.231 31.778 29.762 -0.358 0.000 1.471 257 H HN 0.208 nan 8.280 nan 0.000 0.491 258 P HA -0.047 nan 4.420 nan 0.000 0.224 258 P C 0.155 177.467 177.300 0.020 0.000 1.157 258 P CA 0.761 63.782 63.100 -0.133 0.000 0.799 258 P CB 0.441 32.013 31.700 -0.213 0.000 0.809 259 T N -3.806 110.843 114.554 0.159 0.000 3.393 259 T HA 0.469 4.839 4.350 0.033 0.000 0.255 259 T C -2.912 171.925 174.700 0.229 0.000 1.008 259 T CA -2.144 60.082 62.100 0.210 0.000 1.053 259 T CB 0.026 68.974 68.868 0.134 0.000 1.120 259 T HN -0.021 nan 8.240 nan 0.000 0.538 260 P HA 0.353 nan 4.420 nan 0.000 0.277 260 P C -0.123 177.232 177.300 0.093 0.000 1.240 260 P CA -0.906 62.233 63.100 0.065 0.000 0.798 260 P CB 0.608 32.345 31.700 0.060 0.000 0.979 261 L N 3.231 124.485 121.223 0.051 0.000 2.490 261 L HA 0.206 4.566 4.340 0.033 0.000 0.274 261 L C -0.432 176.494 176.870 0.094 0.000 1.201 261 L CA 0.206 55.092 54.840 0.076 0.000 0.869 261 L CB -0.850 41.231 42.059 0.038 0.000 1.123 261 L HN 0.214 nan 8.230 nan 0.000 0.484 262 F N 7.108 127.026 119.950 -0.054 0.000 2.421 262 F HA 0.543 5.091 4.527 0.034 0.000 0.337 262 F C -1.584 174.151 175.800 -0.109 0.000 1.105 262 F CA -1.823 56.124 58.000 -0.088 0.000 1.049 262 F CB 1.414 40.331 39.000 -0.140 0.000 1.139 262 F HN 0.507 nan 8.300 nan 0.000 0.479 263 P HA 0.033 nan 4.420 nan 0.000 0.267 263 P C 0.988 178.006 177.300 -0.471 0.000 1.289 263 P CA 0.587 63.005 63.100 -1.137 0.000 0.866 263 P CB 0.283 31.049 31.700 -1.556 0.000 1.309 264 S N 0.414 115.917 115.700 -0.327 0.000 2.387 264 S HA -0.044 4.446 4.470 0.033 0.000 0.230 264 S C 1.905 176.413 174.600 -0.152 0.000 1.035 264 S CA 1.646 59.718 58.200 -0.214 0.000 1.014 264 S CB -1.726 61.378 63.200 -0.160 0.000 0.836 264 S HN 0.317 nan 8.310 nan 0.000 0.466 265 G N 0.799 109.537 108.800 -0.104 0.000 2.157 265 G HA2 -0.227 3.753 3.960 0.033 0.000 0.248 265 G HA3 -0.227 3.753 3.960 0.033 0.000 0.248 265 G C 0.045 174.896 174.900 -0.083 0.000 0.979 265 G CA 0.046 45.114 45.100 -0.055 0.000 0.650 265 G HN 0.621 nan 8.290 nan 0.000 0.529 266 I N 1.244 121.732 120.570 -0.136 0.000 2.598 266 I HA 0.159 4.349 4.170 0.033 0.000 0.284 266 I C 1.060 177.101 176.117 -0.127 0.000 1.140 266 I CA -0.684 60.500 61.300 -0.193 0.000 1.420 266 I CB 0.565 38.355 38.000 -0.350 0.000 1.387 266 I HN 0.097 nan 8.210 nan 0.000 0.553 267 L N 8.359 129.503 121.223 -0.132 0.000 2.453 267 L HA 0.163 4.522 4.340 0.033 0.000 0.272 267 L C -0.296 176.507 176.870 -0.112 0.000 1.182 267 L CA 0.559 55.301 54.840 -0.163 0.000 0.858 267 L CB 0.303 42.246 42.059 -0.193 0.000 1.120 267 L HN 0.418 nan 8.230 nan 0.000 0.474 268 L N 4.781 125.947 121.223 -0.095 0.000 2.337 268 L HA 0.213 4.573 4.340 0.033 0.000 0.269 268 L C 0.455 177.333 176.870 0.014 0.000 1.018 268 L CA -0.486 54.348 54.840 -0.010 0.000 0.876 268 L CB 1.252 43.339 42.059 0.046 0.000 1.236 268 L HN 0.692 nan 8.230 nan 0.000 0.436 269 T N 0.720 115.271 114.554 -0.006 0.000 2.870 269 T HA -0.201 4.169 4.350 0.033 0.000 0.311 269 T C 1.349 176.118 174.700 0.115 0.000 1.052 269 T CA 0.763 62.888 62.100 0.042 0.000 1.131 269 T CB 0.446 69.305 68.868 -0.014 0.000 1.082 269 T HN 0.801 nan 8.240 nan 0.000 0.511 270 E N 2.286 122.611 120.200 0.209 0.000 2.396 270 E HA -0.101 4.269 4.350 0.033 0.000 0.200 270 E C 1.994 178.627 176.600 0.054 0.000 1.023 270 E CA 0.979 57.456 56.400 0.128 0.000 0.857 270 E CB -0.699 29.061 29.700 0.100 0.000 0.775 270 E HN 0.906 nan 8.360 nan 0.000 0.525 271 G N 0.221 109.052 108.800 0.051 0.000 2.498 271 G HA2 -0.252 3.727 3.960 0.033 0.000 0.219 271 G HA3 -0.252 3.727 3.960 0.033 0.000 0.219 271 G C 1.505 176.400 174.900 -0.008 0.000 1.119 271 G CA 0.710 45.804 45.100 -0.010 0.000 0.766 271 G HN 0.367 nan 8.290 nan 0.000 0.552 272 C N -0.110 119.193 119.300 0.005 0.000 2.462 272 C HA 0.050 4.530 4.460 0.033 0.000 0.278 272 C C 2.931 177.915 174.990 -0.010 0.000 1.253 272 C CA 0.696 59.719 59.018 0.008 0.000 1.713 272 C CB -0.796 26.956 27.740 0.021 0.000 2.049 272 C HN 0.476 nan 8.230 nan 0.000 0.477 273 R N 0.598 121.078 120.500 -0.032 0.000 2.066 273 R HA -0.045 4.314 4.340 0.033 0.000 0.232 273 R C 2.514 178.777 176.300 -0.062 0.000 1.131 273 R CA 1.640 57.702 56.100 -0.065 0.000 0.955 273 R CB -0.855 29.389 30.300 -0.094 0.000 0.851 273 R HN 0.619 nan 8.270 nan 0.000 0.432 274 G N 0.857 109.620 108.800 -0.062 0.000 2.450 274 G HA2 -0.272 3.708 3.960 0.033 0.000 0.220 274 G HA3 -0.272 3.708 3.960 0.033 0.000 0.220 274 G C 0.616 175.493 174.900 -0.038 0.000 1.130 274 G CA 1.289 46.348 45.100 -0.068 0.000 0.760 274 G HN 0.263 nan 8.290 nan 0.000 0.557 275 D N -0.800 119.599 120.400 -0.003 0.000 2.323 275 D HA 0.291 4.951 4.640 0.033 0.000 0.209 275 D C 1.889 178.192 176.300 0.006 0.000 0.973 275 D CA 1.201 55.231 54.000 0.050 0.000 0.874 275 D CB 0.255 41.170 40.800 0.192 0.000 0.930 275 D HN 0.415 nan 8.370 nan 0.000 0.521 276 G N -0.937 107.852 108.800 -0.018 0.000 2.613 276 G HA2 -0.071 3.909 3.960 0.033 0.000 0.199 276 G HA3 -0.071 3.909 3.960 0.033 0.000 0.199 276 G C 0.756 175.622 174.900 -0.057 0.000 0.991 276 G CA -0.254 44.819 45.100 -0.045 0.000 0.756 276 G HN 0.479 nan 8.290 nan 0.000 0.515 277 G N 0.733 109.508 108.800 -0.043 0.000 2.341 277 G HA2 0.349 4.329 3.960 0.033 0.000 0.231 277 G HA3 0.349 4.329 3.960 0.033 0.000 0.231 277 G C 0.056 174.886 174.900 -0.117 0.000 1.206 277 G CA 0.415 45.477 45.100 -0.062 0.000 0.865 277 G HN 0.409 nan 8.290 nan 0.000 0.515 278 I N 2.052 122.527 120.570 -0.158 0.000 2.404 278 I HA 0.314 4.504 4.170 0.033 0.000 0.293 278 I C 0.313 176.270 176.117 -0.267 0.000 0.992 278 I CA -0.839 60.322 61.300 -0.231 0.000 1.149 278 I CB 1.587 39.433 38.000 -0.257 0.000 1.315 278 I HN 0.281 nan 8.210 nan 0.000 0.446 279 L N 6.646 127.668 121.223 -0.336 0.000 2.275 279 L HA 0.494 4.854 4.340 0.033 0.000 0.288 279 L C 0.210 176.869 176.870 -0.351 0.000 1.046 279 L CA -0.508 54.140 54.840 -0.321 0.000 0.805 279 L CB 0.897 42.669 42.059 -0.479 0.000 1.193 279 L HN 0.544 nan 8.230 nan 0.000 0.426 280 R N 1.017 121.518 120.500 0.002 0.000 2.854 280 R HA 0.447 4.807 4.340 0.033 0.000 0.271 280 R C -1.196 175.424 176.300 0.534 0.000 0.994 280 R CA -0.942 55.260 56.100 0.169 0.000 0.945 280 R CB 1.995 32.225 30.300 -0.116 0.000 1.194 280 R HN 0.622 nan 8.270 nan 0.000 0.476 281 D N -0.322 120.406 120.400 0.546 0.000 2.567 281 D HA 0.042 4.702 4.640 0.033 0.000 0.275 281 D C 0.905 177.490 176.300 0.475 0.000 1.195 281 D CA -0.775 53.490 54.000 0.443 0.000 1.087 281 D CB -0.099 40.994 40.800 0.488 0.000 1.165 281 D HN 0.156 nan 8.370 nan 0.000 0.609 282 V N -0.230 119.865 119.914 0.301 0.000 2.568 282 V HA -0.189 3.950 4.120 0.033 0.000 0.253 282 V C 0.629 176.922 176.094 0.332 0.000 1.072 282 V CA 2.175 64.657 62.300 0.303 0.000 1.084 282 V CB -0.583 31.315 31.823 0.126 0.000 0.676 282 V HN 0.425 nan 8.190 nan 0.000 0.469 283 D N -0.574 120.009 120.400 0.304 0.000 2.339 283 D HA 0.199 4.859 4.640 0.033 0.000 0.217 283 D C 1.619 178.112 176.300 0.321 0.000 1.050 283 D CA 0.973 55.130 54.000 0.261 0.000 0.856 283 D CB 0.532 41.453 40.800 0.202 0.000 0.922 283 D HN 0.641 nan 8.370 nan 0.000 0.518 284 G N 1.550 110.602 108.800 0.421 0.000 2.157 284 G HA2 -0.282 3.698 3.960 0.033 0.000 0.248 284 G HA3 -0.282 3.698 3.960 0.033 0.000 0.248 284 G C 0.197 175.268 174.900 0.286 0.000 0.979 284 G CA 0.096 45.452 45.100 0.426 0.000 0.650 284 G HN 0.513 nan 8.290 nan 0.000 0.529 285 H N 0.814 120.021 119.070 0.229 0.000 2.767 285 H HA 0.501 5.076 4.556 0.033 0.000 0.316 285 H C 0.899 176.329 175.328 0.171 0.000 1.059 285 H CA -0.320 55.841 56.048 0.188 0.000 1.461 285 H CB 0.450 30.348 29.762 0.226 0.000 1.475 285 H HN 0.376 nan 8.280 nan 0.000 0.531 286 R N 5.457 125.707 120.500 -0.418 0.000 2.345 286 R HA 0.023 4.383 4.340 0.033 0.000 0.331 286 R C -0.035 175.764 176.300 -0.835 0.000 1.067 286 R CA -0.007 55.788 56.100 -0.508 0.000 0.962 286 R CB -0.301 29.792 30.300 -0.344 0.000 0.987 286 R HN 0.777 nan 8.270 nan 0.000 0.451 287 F N 3.001 122.613 119.950 -0.564 0.000 2.656 287 F HA 0.141 4.688 4.527 0.033 0.000 0.291 287 F C 1.360 177.106 175.800 -0.090 0.000 1.122 287 F CA -0.457 57.311 58.000 -0.387 0.000 1.427 287 F CB -0.137 38.585 39.000 -0.462 0.000 1.125 287 F HN 0.306 nan 8.300 nan 0.000 0.583 288 M N 1.790 120.990 119.600 -0.666 0.000 2.082 288 M HA -0.093 4.407 4.480 0.033 0.000 0.258 288 M C -0.541 175.747 176.300 -0.020 0.000 1.069 288 M CA 1.628 56.773 55.300 -0.257 0.000 1.102 288 M CB -2.468 29.904 32.600 -0.380 0.000 1.336 288 M HN 0.068 nan 8.290 nan 0.000 0.404 289 P HA -0.133 nan 4.420 nan 0.000 0.218 289 P C 0.837 178.145 177.300 0.013 0.000 1.148 289 P CA 1.217 64.298 63.100 -0.032 0.000 0.822 289 P CB -0.123 31.542 31.700 -0.059 0.000 0.784 290 D N -1.688 118.726 120.400 0.022 0.000 2.104 290 D HA -0.185 4.475 4.640 0.033 0.000 0.194 290 D C 1.754 177.965 176.300 -0.147 0.000 0.994 290 D CA 1.556 55.517 54.000 -0.065 0.000 0.830 290 D CB -0.822 39.906 40.800 -0.121 0.000 0.959 290 D HN 0.327 nan 8.370 nan 0.000 0.452 291 Y N 0.189 120.542 120.300 0.089 0.000 2.347 291 Y HA 0.146 4.716 4.550 0.033 0.000 0.294 291 Y C 0.818 176.750 175.900 0.053 0.000 1.117 291 Y CA 0.383 58.534 58.100 0.085 0.000 1.184 291 Y CB 0.447 38.977 38.460 0.117 0.000 1.047 291 Y HN -0.213 nan 8.280 nan 0.000 0.546 292 E N 0.215 120.527 120.200 0.186 0.000 2.916 292 E HA 0.222 4.592 4.350 0.033 0.000 0.217 292 E C -2.235 174.395 176.600 0.050 0.000 1.100 292 E CA -1.809 54.652 56.400 0.102 0.000 0.891 292 E CB 1.033 30.780 29.700 0.077 0.000 1.311 292 E HN 0.179 nan 8.360 nan 0.000 0.421 293 P HA -0.212 nan 4.420 nan 0.000 0.216 293 P C 1.324 178.632 177.300 0.013 0.000 1.150 293 P CA 1.290 64.401 63.100 0.018 0.000 0.843 293 P CB 0.708 32.418 31.700 0.018 0.000 0.787 294 E N -0.315 119.898 120.200 0.022 0.000 2.004 294 E HA -0.179 4.190 4.350 0.033 0.000 0.194 294 E C 1.918 178.525 176.600 0.012 0.000 0.981 294 E CA 1.101 57.513 56.400 0.020 0.000 0.842 294 E CB -0.231 29.489 29.700 0.033 0.000 0.796 294 E HN -0.165 nan 8.360 nan 0.000 0.477 295 K N 0.456 120.867 120.400 0.018 0.000 2.209 295 K HA -0.087 4.253 4.320 0.033 0.000 0.204 295 K C 0.565 177.152 176.600 -0.022 0.000 1.048 295 K CA 0.943 57.232 56.287 0.003 0.000 0.940 295 K CB -0.082 32.425 32.500 0.012 0.000 0.729 295 K HN 0.165 nan 8.250 nan 0.000 0.451 296 K N -0.609 119.778 120.400 -0.021 0.000 1.882 296 K HA -0.237 4.103 4.320 0.033 0.000 0.199 296 K C 0.500 177.047 176.600 -0.089 0.000 1.562 296 K CA 2.051 58.305 56.287 -0.055 0.000 0.515 296 K CB -1.062 31.395 32.500 -0.072 0.000 0.682 296 K HN 0.331 nan 8.250 nan 0.000 0.843 297 E N 1.805 121.923 120.200 -0.136 0.000 2.505 297 E HA -0.103 4.267 4.350 0.033 0.000 0.197 297 E C 0.986 177.513 176.600 -0.123 0.000 1.111 297 E CA 0.969 57.273 56.400 -0.160 0.000 0.887 297 E CB -0.076 29.501 29.700 -0.203 0.000 0.913 297 E HN 0.462 nan 8.360 nan 0.000 0.517 298 L N 0.612 121.780 121.223 -0.092 0.000 2.769 298 L HA 0.316 4.676 4.340 0.033 0.000 0.240 298 L C 0.987 177.811 176.870 -0.076 0.000 1.163 298 L CA -0.417 54.373 54.840 -0.083 0.000 0.962 298 L CB 0.305 42.328 42.059 -0.059 0.000 1.258 298 L HN 0.014 nan 8.230 nan 0.000 0.513 299 A N 0.330 123.110 122.820 -0.067 0.000 2.366 299 A HA 0.327 4.667 4.320 0.033 0.000 0.250 299 A C 0.842 178.370 177.584 -0.093 0.000 1.099 299 A CA -0.024 51.985 52.037 -0.045 0.000 0.794 299 A CB 0.194 19.185 19.000 -0.015 0.000 1.056 299 A HN 0.364 nan 8.150 nan 0.000 0.499 300 S N 0.084 115.728 115.700 -0.093 0.000 2.563 300 S HA 0.100 4.590 4.470 0.033 0.000 0.284 300 S C 1.099 175.574 174.600 -0.208 0.000 1.331 300 S CA 0.163 58.239 58.200 -0.205 0.000 1.047 300 S CB 0.437 63.442 63.200 -0.325 0.000 0.859 300 S HN 0.688 nan 8.310 nan 0.000 0.514 301 R N 1.201 121.536 120.500 -0.275 0.000 2.112 301 R HA -0.185 4.175 4.340 0.033 0.000 0.242 301 R C 1.791 177.972 176.300 -0.200 0.000 1.137 301 R CA 2.178 58.119 56.100 -0.265 0.000 0.944 301 R CB -0.796 29.309 30.300 -0.325 0.000 0.857 301 R HN 0.800 nan 8.270 nan 0.000 0.435 302 D N -0.194 120.089 120.400 -0.196 0.000 2.157 302 D HA -0.178 4.482 4.640 0.033 0.000 0.191 302 D C 1.798 178.070 176.300 -0.046 0.000 1.004 302 D CA 1.493 55.439 54.000 -0.090 0.000 0.854 302 D CB -0.012 40.780 40.800 -0.013 0.000 0.936 302 D HN -0.010 nan 8.370 nan 0.000 0.446 303 V N -0.421 119.487 119.914 -0.010 0.000 2.270 303 V HA -0.223 3.917 4.120 0.033 0.000 0.245 303 V C 2.609 178.679 176.094 -0.040 0.000 1.043 303 V CA 1.353 63.664 62.300 0.018 0.000 1.014 303 V CB -0.586 31.272 31.823 0.059 0.000 0.645 303 V HN 0.112 nan 8.190 nan 0.000 0.447 304 V N 0.153 120.023 119.914 -0.074 0.000 2.278 304 V HA -0.324 3.816 4.120 0.033 0.000 0.251 304 V C 2.598 178.638 176.094 -0.089 0.000 1.062 304 V CA 2.559 64.807 62.300 -0.087 0.000 1.038 304 V CB -1.010 30.738 31.823 -0.124 0.000 0.646 304 V HN 0.556 nan 8.190 nan 0.000 0.447 305 S N -0.701 114.924 115.700 -0.124 0.000 2.359 305 S HA -0.231 4.259 4.470 0.033 0.000 0.224 305 S C 2.081 176.567 174.600 -0.190 0.000 1.035 305 S CA 1.787 59.897 58.200 -0.150 0.000 1.018 305 S CB -0.350 62.746 63.200 -0.173 0.000 0.876 305 S HN 0.560 nan 8.310 nan 0.000 0.448 306 R N 0.674 121.052 120.500 -0.203 0.000 2.073 306 R HA 0.035 4.395 4.340 0.033 0.000 0.234 306 R C 2.545 178.826 176.300 -0.032 0.000 1.134 306 R CA 0.968 56.943 56.100 -0.209 0.000 0.952 306 R CB -0.228 30.019 30.300 -0.089 0.000 0.850 306 R HN 0.196 nan 8.270 nan 0.000 0.433 307 R N 0.696 121.142 120.500 -0.090 0.000 2.091 307 R HA -0.080 4.279 4.340 0.033 0.000 0.238 307 R C 2.187 178.352 176.300 -0.224 0.000 1.136 307 R CA 1.553 57.495 56.100 -0.263 0.000 0.959 307 R CB -0.595 29.554 30.300 -0.252 0.000 0.856 307 R HN 0.343 nan 8.270 nan 0.000 0.437 308 M N -0.083 119.480 119.600 -0.062 0.000 2.213 308 M HA -0.123 4.377 4.480 0.033 0.000 0.263 308 M C 1.863 178.113 176.300 -0.084 0.000 1.062 308 M CA 1.206 56.485 55.300 -0.035 0.000 1.105 308 M CB -0.175 32.441 32.600 0.027 0.000 1.385 308 M HN -0.021 nan 8.290 nan 0.000 0.417 309 I N 0.043 120.582 120.570 -0.052 0.000 2.406 309 I HA -0.141 4.049 4.170 0.033 0.000 0.249 309 I C 2.083 178.236 176.117 0.059 0.000 1.122 309 I CA 1.385 62.690 61.300 0.009 0.000 1.431 309 I CB -1.212 36.810 38.000 0.036 0.000 1.087 309 I HN 0.346 nan 8.210 nan 0.000 0.424 310 E N -0.061 120.182 120.200 0.072 0.000 2.031 310 E HA -0.277 4.093 4.350 0.033 0.000 0.193 310 E C 2.194 178.779 176.600 -0.026 0.000 0.994 310 E CA 1.412 57.819 56.400 0.011 0.000 0.800 310 E CB -0.221 29.457 29.700 -0.036 0.000 0.752 310 E HN 0.446 nan 8.360 nan 0.000 0.447 311 H N 0.691 119.621 119.070 -0.233 0.000 2.319 311 H HA -0.124 4.452 4.556 0.033 0.000 0.297 311 H C 1.942 177.150 175.328 -0.199 0.000 1.097 311 H CA 1.818 57.726 56.048 -0.232 0.000 1.285 311 H CB -0.161 29.216 29.762 -0.641 0.000 1.368 311 H HN 0.103 nan 8.280 nan 0.000 0.495 312 I N -0.113 120.367 120.570 -0.151 0.000 2.226 312 I HA -0.278 3.912 4.170 0.033 0.000 0.245 312 I C 2.479 178.513 176.117 -0.138 0.000 1.100 312 I CA 1.315 62.515 61.300 -0.166 0.000 1.374 312 I CB -0.289 37.635 38.000 -0.128 0.000 1.057 312 I HN 0.274 nan 8.210 nan 0.000 0.413 313 R N 1.028 121.471 120.500 -0.094 0.000 2.120 313 R HA -0.133 4.227 4.340 0.033 0.000 0.234 313 R C 1.818 178.063 176.300 -0.092 0.000 1.123 313 R CA 0.947 57.000 56.100 -0.078 0.000 0.975 313 R CB -0.279 29.983 30.300 -0.063 0.000 0.866 313 R HN 0.374 nan 8.270 nan 0.000 0.446 314 K N -0.093 120.237 120.400 -0.115 0.000 2.589 314 K HA 0.015 4.355 4.320 0.033 0.000 0.192 314 K C 0.783 177.291 176.600 -0.154 0.000 1.029 314 K CA 0.532 56.748 56.287 -0.118 0.000 1.031 314 K CB 0.273 32.709 32.500 -0.106 0.000 0.821 314 K HN 0.389 nan 8.250 nan 0.000 0.502 315 G N 1.888 110.593 108.800 -0.159 0.000 2.143 315 G HA2 -0.283 3.697 3.960 0.033 0.000 0.248 315 G HA3 -0.283 3.697 3.960 0.033 0.000 0.248 315 G C 0.626 175.419 174.900 -0.178 0.000 0.991 315 G CA 0.444 45.459 45.100 -0.141 0.000 0.689 315 G HN 0.217 nan 8.290 nan 0.000 0.522 316 K N 0.716 120.937 120.400 -0.300 0.000 2.397 316 K HA 0.447 4.787 4.320 0.033 0.000 0.202 316 K C 1.487 177.968 176.600 -0.199 0.000 1.022 316 K CA 0.639 56.740 56.287 -0.310 0.000 1.141 316 K CB -0.115 31.965 32.500 -0.701 0.000 0.857 316 K HN 0.537 nan 8.250 nan 0.000 0.514 317 G N -0.166 108.517 108.800 -0.195 0.000 2.476 317 G HA2 0.339 4.319 3.960 0.033 0.000 0.286 317 G HA3 0.339 4.319 3.960 0.033 0.000 0.286 317 G C -0.743 174.025 174.900 -0.220 0.000 1.177 317 G CA -0.598 44.381 45.100 -0.203 0.000 0.870 317 G HN 0.026 nan 8.290 nan 0.000 0.528 318 V N 1.826 121.506 119.914 -0.390 0.000 2.614 318 V HA 0.137 4.277 4.120 0.033 0.000 0.291 318 V C -0.061 175.804 176.094 -0.381 0.000 1.049 318 V CA -0.493 61.538 62.300 -0.448 0.000 1.038 318 V CB 1.369 32.611 31.823 -0.968 0.000 0.980 318 V HN 0.581 nan 8.190 nan 0.000 0.481 319 Q N 3.003 122.703 119.800 -0.167 0.000 2.296 319 Q HA 0.506 4.866 4.340 0.033 0.000 0.257 319 Q C -0.065 175.938 176.000 0.005 0.000 0.942 319 Q CA 0.181 55.940 55.803 -0.072 0.000 0.939 319 Q CB 1.620 30.342 28.738 -0.028 0.000 1.198 319 Q HN 0.869 nan 8.270 nan 0.000 0.429 320 S N 2.612 118.353 115.700 0.069 0.000 2.632 320 S HA 0.605 5.095 4.470 0.033 0.000 0.289 320 S C -1.982 172.642 174.600 0.040 0.000 1.115 320 S CA -1.475 56.819 58.200 0.158 0.000 0.889 320 S CB 1.359 64.836 63.200 0.462 0.000 1.116 320 S HN 0.339 nan 8.310 nan 0.000 0.486 321 P HA 0.017 nan 4.420 nan 0.000 0.230 321 P C 0.009 177.075 177.300 -0.391 0.000 1.158 321 P CA 0.971 63.858 63.100 -0.354 0.000 0.769 321 P CB -0.196 31.171 31.700 -0.556 0.000 0.807 322 Y N -0.544 119.872 120.300 0.193 0.000 2.481 322 Y HA 0.512 5.082 4.550 0.033 0.000 0.247 322 Y C 1.612 177.737 175.900 0.375 0.000 1.151 322 Y CA 0.207 58.413 58.100 0.176 0.000 1.238 322 Y CB 0.305 38.739 38.460 -0.044 0.000 1.179 322 Y HN 0.042 nan 8.280 nan 0.000 0.524 323 G N 0.097 109.158 108.800 0.435 0.000 2.331 323 G HA2 -0.035 3.945 3.960 0.033 0.000 0.402 323 G HA3 -0.035 3.945 3.960 0.033 0.000 0.402 323 G C -1.441 173.541 174.900 0.137 0.000 1.275 323 G CA -1.249 44.037 45.100 0.310 0.000 1.003 323 G HN -0.011 nan 8.290 nan 0.000 0.500 324 Q N 0.618 120.384 119.800 -0.058 0.000 2.235 324 Q HA 0.579 4.939 4.340 0.033 0.000 0.250 324 Q C 0.252 175.962 176.000 -0.483 0.000 0.909 324 Q CA -0.670 54.991 55.803 -0.237 0.000 0.910 324 Q CB 1.530 30.162 28.738 -0.177 0.000 1.223 324 Q HN 0.811 nan 8.270 nan 0.000 0.432 325 H N 0.566 119.270 119.070 -0.610 0.000 2.959 325 H HA 0.690 5.266 4.556 0.033 0.000 0.296 325 H C -1.187 173.848 175.328 -0.488 0.000 1.421 325 H CA -0.950 54.670 56.048 -0.712 0.000 1.206 325 H CB 0.924 30.048 29.762 -1.063 0.000 1.891 325 H HN 0.491 nan 8.280 nan 0.000 0.573 326 L N -1.250 119.819 121.223 -0.255 0.000 2.171 326 L HA 0.450 4.809 4.340 0.033 0.000 0.253 326 L C -1.173 175.614 176.870 -0.138 0.000 1.054 326 L CA -0.952 53.761 54.840 -0.211 0.000 0.927 326 L CB 2.106 44.179 42.059 0.024 0.000 1.513 326 L HN 0.511 nan 8.230 nan 0.000 0.471 327 W N 0.754 122.199 121.300 0.241 0.000 2.689 327 W HA 0.638 5.317 4.660 0.033 0.000 0.340 327 W C -1.033 175.519 176.519 0.056 0.000 1.060 327 W CA -0.528 56.951 57.345 0.223 0.000 1.218 327 W CB 1.723 31.353 29.460 0.282 0.000 1.410 327 W HN 0.016 nan 8.180 nan 0.000 0.528 328 L N 3.501 124.929 121.223 0.341 0.000 2.319 328 L HA 0.436 4.796 4.340 0.033 0.000 0.281 328 L C -0.956 175.928 176.870 0.024 0.000 1.005 328 L CA -0.334 54.575 54.840 0.115 0.000 0.828 328 L CB 0.909 43.046 42.059 0.131 0.000 1.227 328 L HN 0.309 nan 8.230 nan 0.000 0.415 329 D N 5.343 125.620 120.400 -0.203 0.000 2.441 329 D HA 0.260 4.920 4.640 0.033 0.000 0.231 329 D C 0.675 176.906 176.300 -0.116 0.000 1.073 329 D CA -0.357 53.448 54.000 -0.325 0.000 0.850 329 D CB 0.945 41.259 40.800 -0.810 0.000 1.062 329 D HN 0.566 nan 8.370 nan 0.000 0.524 330 I N 1.364 121.939 120.570 0.008 0.000 4.070 330 I HA 0.027 4.216 4.170 0.033 0.000 0.328 330 I C 1.580 177.735 176.117 0.063 0.000 1.298 330 I CA 0.007 61.327 61.300 0.032 0.000 1.173 330 I CB -0.941 37.091 38.000 0.053 0.000 1.051 330 I HN 0.248 nan 8.210 nan 0.000 0.409 331 S N 3.927 119.685 115.700 0.098 0.000 2.392 331 S HA -0.248 4.242 4.470 0.033 0.000 0.232 331 S C 1.961 176.610 174.600 0.081 0.000 1.041 331 S CA 1.763 60.031 58.200 0.113 0.000 1.026 331 S CB -1.422 61.888 63.200 0.184 0.000 0.845 331 S HN 0.619 nan 8.310 nan 0.000 0.465 332 I N -0.066 120.537 120.570 0.056 0.000 3.164 332 I HA 0.139 4.329 4.170 0.033 0.000 0.278 332 I C 1.614 177.740 176.117 0.015 0.000 1.320 332 I CA 0.763 62.080 61.300 0.029 0.000 1.422 332 I CB -0.866 37.131 38.000 -0.004 0.000 1.066 332 I HN 0.254 nan 8.210 nan 0.000 0.503 333 L N 1.159 122.406 121.223 0.040 0.000 2.567 333 L HA 0.443 4.802 4.340 0.033 0.000 0.225 333 L C 1.143 178.052 176.870 0.066 0.000 1.119 333 L CA 0.303 55.167 54.840 0.041 0.000 0.871 333 L CB -0.899 41.265 42.059 0.175 0.000 1.036 333 L HN 0.620 nan 8.230 nan 0.000 0.459 334 G N 0.420 109.262 108.800 0.069 0.000 2.690 334 G HA2 -0.237 3.743 3.960 0.033 0.000 0.686 334 G HA3 -0.237 3.743 3.960 0.033 0.000 0.686 334 G C 0.115 175.067 174.900 0.086 0.000 1.277 334 G CA -0.091 45.050 45.100 0.069 0.000 0.799 334 G HN 0.157 nan 8.290 nan 0.000 0.613 335 R N 0.345 120.881 120.500 0.060 0.000 2.075 335 R HA 0.069 4.429 4.340 0.033 0.000 0.226 335 R C 2.566 178.893 176.300 0.045 0.000 1.114 335 R CA 1.647 57.774 56.100 0.045 0.000 0.972 335 R CB -0.281 30.035 30.300 0.028 0.000 0.869 335 R HN 0.600 nan 8.270 nan 0.000 0.437 336 K N -1.036 119.397 120.400 0.056 0.000 2.147 336 K HA -0.202 4.138 4.320 0.033 0.000 0.205 336 K C 1.952 178.598 176.600 0.076 0.000 1.049 336 K CA 1.549 57.868 56.287 0.054 0.000 0.936 336 K CB -0.250 32.282 32.500 0.054 0.000 0.722 336 K HN 0.290 nan 8.250 nan 0.000 0.446 337 H N 0.944 120.017 119.070 0.005 0.000 2.428 337 H HA 0.047 4.624 4.556 0.033 0.000 0.296 337 H C 1.669 176.997 175.328 0.000 0.000 1.062 337 H CA 1.275 57.325 56.048 0.004 0.000 1.350 337 H CB 0.074 29.838 29.762 0.004 0.000 1.403 337 H HN 0.074 nan 8.280 nan 0.000 0.533 338 I N 0.173 120.707 120.570 -0.061 0.000 2.277 338 I HA -0.138 4.052 4.170 0.033 0.000 0.243 338 I C 1.606 177.665 176.117 -0.097 0.000 1.094 338 I CA 1.179 62.414 61.300 -0.108 0.000 1.393 338 I CB -0.243 37.746 38.000 -0.018 0.000 1.078 338 I HN 0.293 nan 8.210 nan 0.000 0.417 339 E N 0.364 120.533 120.200 -0.052 0.000 2.515 339 E HA -0.125 4.245 4.350 0.033 0.000 0.201 339 E C 1.498 178.069 176.600 -0.047 0.000 1.071 339 E CA 1.334 57.708 56.400 -0.043 0.000 0.880 339 E CB -0.047 29.640 29.700 -0.022 0.000 0.828 339 E HN 0.657 nan 8.360 nan 0.000 0.540 340 T N -3.467 111.044 114.554 -0.072 0.000 3.115 340 T HA 0.087 4.457 4.350 0.033 0.000 0.256 340 T C 1.505 176.150 174.700 -0.091 0.000 0.970 340 T CA -0.339 61.725 62.100 -0.059 0.000 1.010 340 T CB 0.089 68.940 68.868 -0.028 0.000 1.151 340 T HN -0.082 nan 8.240 nan 0.000 0.479 341 N N 0.958 119.549 118.700 -0.182 0.000 2.415 341 N HA 0.240 4.999 4.740 0.033 0.000 0.174 341 N C 0.144 175.534 175.510 -0.201 0.000 1.048 341 N CA 0.617 53.536 53.050 -0.219 0.000 0.895 341 N CB 0.578 38.832 38.487 -0.389 0.000 1.036 341 N HN 0.293 nan 8.380 nan 0.000 0.449 342 L N 0.626 121.728 121.223 -0.202 0.000 3.255 342 L HA 0.333 4.693 4.340 0.033 0.000 0.293 342 L C 1.600 178.419 176.870 -0.084 0.000 1.302 342 L CA -0.035 54.727 54.840 -0.131 0.000 0.977 342 L CB 0.459 42.443 42.059 -0.125 0.000 1.390 342 L HN -0.076 nan 8.230 nan 0.000 0.588 343 R N 0.369 120.823 120.500 -0.076 0.000 2.200 343 R HA -0.216 4.143 4.340 0.033 0.000 0.234 343 R C 1.427 177.705 176.300 -0.036 0.000 1.127 343 R CA 1.915 57.984 56.100 -0.052 0.000 0.989 343 R CB 0.199 30.473 30.300 -0.043 0.000 0.869 343 R HN 0.454 nan 8.270 nan 0.000 0.459 344 D N -0.885 119.497 120.400 -0.031 0.000 2.249 344 D HA -0.083 4.577 4.640 0.033 0.000 0.205 344 D C 1.667 177.973 176.300 0.009 0.000 0.962 344 D CA 0.335 54.331 54.000 -0.006 0.000 0.860 344 D CB 0.308 41.099 40.800 -0.015 0.000 0.955 344 D HN 0.066 nan 8.370 nan 0.000 0.505 345 V N 0.165 120.074 119.914 -0.008 0.000 2.591 345 V HA -0.123 4.017 4.120 0.033 0.000 0.249 345 V C 2.168 178.271 176.094 0.016 0.000 1.053 345 V CA 1.686 63.992 62.300 0.010 0.000 1.068 345 V CB -0.206 31.616 31.823 -0.000 0.000 0.689 345 V HN 0.258 nan 8.190 nan 0.000 0.462 346 Q N -0.459 119.334 119.800 -0.013 0.000 2.167 346 Q HA -0.211 4.149 4.340 0.033 0.000 0.202 346 Q C 2.048 178.000 176.000 -0.081 0.000 0.970 346 Q CA 1.951 57.734 55.803 -0.033 0.000 0.855 346 Q CB 0.008 28.717 28.738 -0.048 0.000 0.911 346 Q HN 0.762 nan 8.270 nan 0.000 0.438 347 E N 0.086 120.237 120.200 -0.081 0.000 2.112 347 E HA -0.140 4.230 4.350 0.033 0.000 0.190 347 E C 1.982 178.564 176.600 -0.029 0.000 0.979 347 E CA 0.673 56.953 56.400 -0.199 0.000 0.814 347 E CB 0.098 29.785 29.700 -0.022 0.000 0.762 347 E HN 0.371 nan 8.360 nan 0.000 0.460 348 I N 1.263 121.934 120.570 0.168 0.000 2.163 348 I HA -0.290 3.900 4.170 0.033 0.000 0.243 348 I C 2.468 178.781 176.117 0.327 0.000 1.085 348 I CA 1.116 62.634 61.300 0.363 0.000 1.347 348 I CB -1.378 36.742 38.000 0.201 0.000 1.044 348 I HN 0.251 nan 8.210 nan 0.000 0.408 349 C N 0.584 119.974 119.300 0.150 0.000 2.435 349 C HA -0.098 4.382 4.460 0.033 0.000 0.279 349 C C 2.672 177.701 174.990 0.064 0.000 1.321 349 C CA 0.404 59.496 59.018 0.123 0.000 1.752 349 C CB -0.939 26.857 27.740 0.093 0.000 1.959 349 C HN 0.521 nan 8.230 nan 0.000 0.500 350 E N -0.227 119.943 120.200 -0.050 0.000 2.033 350 E HA -0.140 4.230 4.350 0.033 0.000 0.189 350 E C 1.952 178.473 176.600 -0.130 0.000 0.979 350 E CA 1.220 57.536 56.400 -0.140 0.000 0.802 350 E CB -0.312 29.207 29.700 -0.302 0.000 0.763 350 E HN 0.670 nan 8.360 nan 0.000 0.449 351 Y N -0.283 119.913 120.300 -0.173 0.000 2.181 351 Y HA -0.170 4.401 4.550 0.035 0.000 0.288 351 Y C 1.945 177.475 175.900 -0.617 0.000 1.146 351 Y CA 1.131 58.944 58.100 -0.478 0.000 1.164 351 Y CB -0.399 37.578 38.460 -0.804 0.000 0.982 351 Y HN 0.060 nan 8.280 nan 0.000 0.515 352 F N -2.692 117.350 119.950 0.155 0.000 2.694 352 F HA 0.363 4.910 4.527 0.032 0.000 0.292 352 F C 2.015 177.842 175.800 0.044 0.000 1.121 352 F CA 0.524 58.569 58.000 0.075 0.000 1.352 352 F CB -0.204 38.826 39.000 0.051 0.000 1.107 352 F HN -0.103 nan 8.300 nan 0.000 0.597 353 A N -0.221 122.719 122.820 0.200 0.000 2.343 353 A HA 0.512 4.852 4.320 0.033 0.000 0.223 353 A C 1.739 179.386 177.584 0.105 0.000 1.214 353 A CA 0.499 52.624 52.037 0.147 0.000 0.900 353 A CB -0.710 18.386 19.000 0.161 0.000 0.942 353 A HN 0.444 nan 8.150 nan 0.000 0.507 354 G N 0.506 109.345 108.800 0.066 0.000 2.295 354 G HA2 -0.198 3.782 3.960 0.033 0.000 0.287 354 G HA3 -0.198 3.782 3.960 0.033 0.000 0.287 354 G C 0.020 174.941 174.900 0.036 0.000 1.055 354 G CA 0.838 45.959 45.100 0.035 0.000 0.922 354 G HN 1.635 nan 8.290 nan 0.000 0.503 355 I N -3.949 116.642 120.570 0.036 0.000 2.913 355 I HA 0.739 4.929 4.170 0.033 0.000 0.302 355 I C -1.156 174.971 176.117 0.017 0.000 1.246 355 I CA -1.660 59.662 61.300 0.037 0.000 1.010 355 I CB 2.313 40.363 38.000 0.084 0.000 1.259 355 I HN -0.048 nan 8.210 nan 0.000 0.434 356 D N 6.050 126.456 120.400 0.010 0.000 2.396 356 D HA 0.401 5.061 4.640 0.033 0.000 0.225 356 D C -1.538 174.785 176.300 0.037 0.000 1.121 356 D CA -2.328 51.673 54.000 0.002 0.000 0.853 356 D CB 1.539 42.332 40.800 -0.013 0.000 1.043 356 D HN 0.364 nan 8.370 nan 0.000 0.500 357 P HA -0.183 nan 4.420 nan 0.000 0.222 357 P C 0.657 178.011 177.300 0.090 0.000 1.142 357 P CA 0.697 63.849 63.100 0.087 0.000 0.788 357 P CB 0.253 31.995 31.700 0.069 0.000 0.767 358 A N -0.673 122.182 122.820 0.057 0.000 2.238 358 A HA 0.045 4.385 4.320 0.033 0.000 0.210 358 A C 1.889 179.507 177.584 0.057 0.000 1.179 358 A CA 0.494 52.565 52.037 0.057 0.000 0.827 358 A CB -0.294 18.726 19.000 0.033 0.000 0.856 358 A HN 0.169 nan 8.150 nan 0.000 0.488 359 E N -0.749 119.479 120.200 0.047 0.000 2.399 359 E HA 0.127 4.497 4.350 0.033 0.000 0.206 359 E C 0.001 176.597 176.600 -0.007 0.000 0.812 359 E CA 0.201 56.611 56.400 0.016 0.000 1.138 359 E CB 0.539 30.233 29.700 -0.011 0.000 1.140 359 E HN 0.380 nan 8.360 nan 0.000 0.536 360 K N 0.150 120.562 120.400 0.021 0.000 2.346 360 K HA 0.369 4.709 4.320 0.033 0.000 0.238 360 K C -1.052 175.672 176.600 0.207 0.000 1.039 360 K CA -0.875 55.388 56.287 -0.039 0.000 0.861 360 K CB 1.301 33.763 32.500 -0.063 0.000 1.278 360 K HN -0.151 nan 8.250 nan 0.000 0.460 361 W N 0.634 121.887 121.300 -0.078 0.000 2.496 361 W HA 0.502 5.182 4.660 0.033 0.000 0.327 361 W C -0.149 176.524 176.519 0.256 0.000 1.086 361 W CA -1.329 56.030 57.345 0.022 0.000 1.222 361 W CB 0.873 30.238 29.460 -0.158 0.000 1.304 361 W HN 0.569 nan 8.180 nan 0.000 0.547 362 A N 5.981 129.129 122.820 0.546 0.000 2.301 362 A HA 0.594 4.934 4.320 0.033 0.000 0.298 362 A C -2.158 175.752 177.584 0.544 0.000 1.185 362 A CA -1.516 50.799 52.037 0.463 0.000 0.830 362 A CB 0.025 19.191 19.000 0.276 0.000 1.112 362 A HN 0.290 nan 8.150 nan 0.000 0.508 363 P HA 0.294 nan 4.420 nan 0.000 0.276 363 P C -0.307 177.033 177.300 0.066 0.000 1.243 363 P CA 0.237 63.328 63.100 -0.015 0.000 0.768 363 P CB 0.986 32.436 31.700 -0.417 0.000 0.856 364 V N 1.952 121.908 119.914 0.071 0.000 3.141 364 V HA 0.887 5.027 4.120 0.033 0.000 0.312 364 V C -1.068 175.054 176.094 0.047 0.000 1.157 364 V CA -1.245 61.121 62.300 0.110 0.000 1.041 364 V CB 2.094 33.992 31.823 0.126 0.000 1.071 364 V HN 0.488 nan 8.190 nan 0.000 0.441 365 L N 1.038 122.313 121.223 0.087 0.000 2.700 365 L HA 0.725 5.085 4.340 0.033 0.000 0.255 365 L C -3.124 173.807 176.870 0.102 0.000 0.933 365 L CA -0.822 54.042 54.840 0.041 0.000 0.920 365 L CB 2.307 44.353 42.059 -0.020 0.000 1.472 365 L HN 0.593 nan 8.230 nan 0.000 0.426 366 P HA 0.453 nan 4.420 nan 0.000 0.268 366 P C -1.016 176.406 177.300 0.204 0.000 1.205 366 P CA 0.198 63.358 63.100 0.100 0.000 0.771 366 P CB 0.586 32.280 31.700 -0.010 0.000 0.858 367 M N 0.602 120.377 119.600 0.292 0.000 2.622 367 M HA 0.246 4.745 4.480 0.033 0.000 0.276 367 M C -0.398 175.950 176.300 0.079 0.000 1.265 367 M CA -1.099 54.368 55.300 0.278 0.000 0.850 367 M CB 1.961 34.649 32.600 0.146 0.000 1.720 367 M HN 0.220 nan 8.290 nan 0.000 0.465 368 Q N 1.429 120.991 119.800 -0.397 0.000 2.315 368 Q HA -0.039 4.321 4.340 0.033 0.000 0.289 368 Q C -0.843 174.927 176.000 -0.383 0.000 1.044 368 Q CA 1.426 56.626 55.803 -1.005 0.000 0.920 368 Q CB 0.568 28.630 28.738 -1.127 0.000 1.214 368 Q HN 0.838 nan 8.270 nan 0.000 0.392 369 H N 3.230 122.029 119.070 -0.451 0.000 2.089 369 H HA 0.186 4.762 4.556 0.033 0.000 0.206 369 H C -1.184 174.073 175.328 -0.117 0.000 0.872 369 H CA 0.196 56.136 56.048 -0.180 0.000 0.979 369 H CB 0.508 30.253 29.762 -0.028 0.000 1.266 369 H HN 0.586 nan 8.280 nan 0.000 0.389 370 Y N 0.626 120.747 120.300 -0.299 0.000 2.499 370 Y HA 0.600 5.170 4.550 0.033 0.000 0.347 370 Y C -1.046 174.627 175.900 -0.377 0.000 0.987 370 Y CA -1.142 56.747 58.100 -0.351 0.000 1.044 370 Y CB 2.264 40.583 38.460 -0.236 0.000 1.245 370 Y HN 0.039 nan 8.280 nan 0.000 0.461 371 S N 6.140 121.054 115.700 -1.310 0.000 2.528 371 S HA 0.193 4.683 4.470 0.033 0.000 0.303 371 S C 0.572 174.641 174.600 -0.884 0.000 1.123 371 S CA -0.619 56.952 58.200 -1.048 0.000 1.138 371 S CB 0.698 63.116 63.200 -1.303 0.000 0.984 371 S HN 0.827 nan 8.310 nan 0.000 0.474 372 M N 2.362 121.731 119.600 -0.384 0.000 2.229 372 M HA 0.064 4.564 4.480 0.033 0.000 0.264 372 M C 1.604 177.877 176.300 -0.044 0.000 1.063 372 M CA 0.759 56.018 55.300 -0.068 0.000 1.114 372 M CB -0.536 32.058 32.600 -0.010 0.000 1.387 372 M HN 0.704 nan 8.290 nan 0.000 0.420 373 G N -0.873 107.906 108.800 -0.035 0.000 2.684 373 G HA2 0.475 4.455 3.960 0.033 0.000 0.255 373 G HA3 0.475 4.455 3.960 0.033 0.000 0.255 373 G C 0.134 175.100 174.900 0.110 0.000 1.219 373 G CA -0.002 45.133 45.100 0.059 0.000 0.901 373 G HN 0.606 nan 8.290 nan 0.000 0.548 374 G N -1.543 107.299 108.800 0.070 0.000 2.343 374 G HA2 0.310 4.290 3.960 0.033 0.000 0.289 374 G HA3 0.310 4.290 3.960 0.033 0.000 0.289 374 G C -0.764 174.133 174.900 -0.004 0.000 1.295 374 G CA -0.919 44.209 45.100 0.048 0.000 0.869 374 G HN 0.739 nan 8.290 nan 0.000 0.522 375 I N 0.976 121.534 120.570 -0.021 0.000 2.668 375 I HA 0.175 4.365 4.170 0.033 0.000 0.285 375 I C 1.057 177.157 176.117 -0.027 0.000 1.168 375 I CA -0.182 61.093 61.300 -0.043 0.000 1.424 375 I CB 0.623 38.585 38.000 -0.063 0.000 1.377 375 I HN 0.418 nan 8.210 nan 0.000 0.560 376 R N 5.672 126.153 120.500 -0.032 0.000 2.438 376 R HA 0.346 4.706 4.340 0.033 0.000 0.287 376 R C -0.334 175.950 176.300 -0.026 0.000 1.077 376 R CA -0.057 56.036 56.100 -0.012 0.000 1.034 376 R CB 0.550 30.840 30.300 -0.018 0.000 0.993 376 R HN 0.816 nan 8.270 nan 0.000 0.459 377 T N -0.139 114.423 114.554 0.014 0.000 2.838 377 T HA 0.528 4.898 4.350 0.033 0.000 0.292 377 T C -0.598 174.128 174.700 0.043 0.000 1.113 377 T CA -0.881 61.213 62.100 -0.010 0.000 1.008 377 T CB 1.341 70.209 68.868 -0.001 0.000 1.259 377 T HN 0.535 nan 8.240 nan 0.000 0.520 378 D N -0.297 120.099 120.400 -0.007 0.000 2.511 378 D HA 0.172 4.832 4.640 0.033 0.000 0.276 378 D C 1.347 177.720 176.300 0.121 0.000 1.220 378 D CA -0.781 53.245 54.000 0.045 0.000 1.077 378 D CB -0.160 40.622 40.800 -0.031 0.000 1.126 378 D HN 0.699 nan 8.370 nan 0.000 0.583 379 Y N -1.392 118.945 120.300 0.062 0.000 2.403 379 Y HA 0.081 4.651 4.550 0.034 0.000 0.291 379 Y C 1.772 177.838 175.900 0.277 0.000 1.143 379 Y CA 0.786 58.959 58.100 0.123 0.000 1.257 379 Y CB -0.483 37.991 38.460 0.024 0.000 0.984 379 Y HN 0.133 nan 8.280 nan 0.000 0.550 380 R N 0.405 120.455 120.500 -0.750 0.000 2.275 380 R HA 0.225 4.585 4.340 0.033 0.000 0.199 380 R C 1.571 177.872 176.300 0.002 0.000 0.989 380 R CA 0.698 56.366 56.100 -0.720 0.000 1.016 380 R CB -0.056 29.602 30.300 -1.069 0.000 0.918 380 R HN 0.633 nan 8.270 nan 0.000 0.473 381 G N 1.203 110.016 108.800 0.021 0.000 2.159 381 G HA2 -0.293 3.686 3.960 0.033 0.000 0.227 381 G HA3 -0.293 3.686 3.960 0.033 0.000 0.227 381 G C -0.189 174.600 174.900 -0.184 0.000 0.986 381 G CA -0.069 45.040 45.100 0.016 0.000 0.651 381 G HN 0.400 nan 8.290 nan 0.000 0.523 382 E N 0.583 120.489 120.200 -0.491 0.000 2.249 382 E HA 0.709 5.079 4.350 0.033 0.000 0.280 382 E C 0.874 177.199 176.600 -0.458 0.000 1.016 382 E CA -0.014 55.834 56.400 -0.920 0.000 0.830 382 E CB 0.971 29.982 29.700 -1.148 0.000 1.081 382 E HN 0.623 nan 8.360 nan 0.000 0.395 383 A N 3.809 126.386 122.820 -0.405 0.000 2.250 383 A HA 0.171 4.511 4.320 0.033 0.000 0.283 383 A C 0.920 178.381 177.584 -0.204 0.000 1.206 383 A CA -0.179 51.716 52.037 -0.236 0.000 0.840 383 A CB 0.473 19.355 19.000 -0.196 0.000 1.220 383 A HN 0.861 nan 8.150 nan 0.000 0.505 384 K N -1.340 118.975 120.400 -0.141 0.000 2.283 384 K HA -0.024 4.316 4.320 0.033 0.000 0.202 384 K C 0.157 176.685 176.600 -0.120 0.000 1.048 384 K CA 0.477 56.697 56.287 -0.111 0.000 0.948 384 K CB -0.286 32.166 32.500 -0.080 0.000 0.742 384 K HN 0.457 nan 8.250 nan 0.000 0.458 385 L N 2.513 123.648 121.223 -0.148 0.000 2.312 385 L HA 0.206 4.565 4.340 0.033 0.000 0.287 385 L C -0.849 175.918 176.870 -0.171 0.000 1.091 385 L CA -0.313 54.437 54.840 -0.150 0.000 0.846 385 L CB 0.476 42.430 42.059 -0.175 0.000 1.219 385 L HN -0.180 nan 8.230 nan 0.000 0.439 386 K N 3.757 124.075 120.400 -0.136 0.000 2.511 386 K HA 0.357 4.697 4.320 0.033 0.000 0.280 386 K C 1.175 177.705 176.600 -0.116 0.000 1.008 386 K CA 1.293 57.507 56.287 -0.123 0.000 1.050 386 K CB 0.136 32.616 32.500 -0.034 0.000 0.889 386 K HN 0.848 nan 8.250 nan 0.000 0.484 387 G N 1.869 110.566 108.800 -0.171 0.000 2.199 387 G HA2 -0.274 3.706 3.960 0.033 0.000 0.254 387 G HA3 -0.274 3.706 3.960 0.033 0.000 0.254 387 G C -0.423 174.513 174.900 0.060 0.000 0.982 387 G CA 0.231 45.271 45.100 -0.101 0.000 0.632 387 G HN 0.522 nan 8.290 nan 0.000 0.529 388 L N 1.244 122.412 121.223 -0.091 0.000 2.272 388 L HA 0.879 5.239 4.340 0.033 0.000 0.289 388 L C -0.593 176.187 176.870 -0.149 0.000 1.032 388 L CA -1.403 53.413 54.840 -0.040 0.000 0.810 388 L CB 0.418 42.406 42.059 -0.118 0.000 1.205 388 L HN -0.003 nan 8.230 nan 0.000 0.422 389 F N 2.545 122.351 119.950 -0.240 0.000 2.594 389 F HA 0.794 5.340 4.527 0.033 0.000 0.335 389 F C 0.409 176.037 175.800 -0.286 0.000 1.058 389 F CA -0.627 57.209 58.000 -0.272 0.000 0.981 389 F CB 2.142 40.920 39.000 -0.370 0.000 1.289 389 F HN 0.477 nan 8.300 nan 0.000 0.490 390 S N 0.200 115.861 115.700 -0.065 0.000 2.541 390 S HA 0.909 5.399 4.470 0.033 0.000 0.271 390 S C -1.607 172.891 174.600 -0.171 0.000 1.133 390 S CA -0.295 57.831 58.200 -0.124 0.000 0.876 390 S CB 1.426 64.564 63.200 -0.102 0.000 1.105 390 S HN 1.066 nan 8.310 nan 0.000 0.470 391 A N 1.883 124.592 122.820 -0.186 0.000 2.594 391 A HA 0.935 5.275 4.320 0.033 0.000 0.295 391 A C 0.347 177.838 177.584 -0.156 0.000 1.071 391 A CA 0.085 51.973 52.037 -0.248 0.000 0.685 391 A CB 0.675 19.515 19.000 -0.268 0.000 1.285 391 A HN 2.413 nan 8.150 nan 0.000 0.405 392 G N 0.332 109.049 108.800 -0.139 0.000 2.615 392 G HA2 -0.129 3.851 3.960 0.033 0.000 0.218 392 G HA3 -0.129 3.851 3.960 0.033 0.000 0.218 392 G C 0.670 175.594 174.900 0.040 0.000 1.339 392 G CA 0.693 45.780 45.100 -0.022 0.000 0.884 392 G HN 1.345 nan 8.290 nan 0.000 0.559 393 E N -0.035 120.204 120.200 0.065 0.000 2.267 393 E HA -0.001 4.369 4.350 0.033 0.000 0.197 393 E C 2.674 179.231 176.600 -0.071 0.000 0.998 393 E CA 1.746 58.151 56.400 0.007 0.000 0.830 393 E CB -0.383 29.277 29.700 -0.066 0.000 0.751 393 E HN 0.998 nan 8.360 nan 0.000 0.491 394 A N 0.439 123.233 122.820 -0.044 0.000 2.168 394 A HA 0.224 4.563 4.320 0.033 0.000 0.215 394 A C 1.110 178.684 177.584 -0.017 0.000 1.152 394 A CA 0.870 52.887 52.037 -0.034 0.000 0.716 394 A CB -0.150 18.824 19.000 -0.044 0.000 0.794 394 A HN 0.319 nan 8.150 nan 0.000 0.465 395 A N -2.056 120.758 122.820 -0.009 0.000 2.263 395 A HA 0.526 4.866 4.320 0.033 0.000 0.318 395 A C 0.041 177.665 177.584 0.065 0.000 1.111 395 A CA 0.020 52.062 52.037 0.009 0.000 0.901 395 A CB 0.654 19.640 19.000 -0.024 0.000 1.280 395 A HN 0.686 nan 8.150 nan 0.000 0.503 396 C N -0.159 119.191 119.300 0.082 0.000 3.290 396 C HA 0.322 4.802 4.460 0.033 0.000 0.206 396 C C 0.702 175.794 174.990 0.169 0.000 1.639 396 C CA -0.923 58.158 59.018 0.105 0.000 1.408 396 C CB -1.847 25.922 27.740 0.049 0.000 2.197 396 C HN 0.893 nan 8.230 nan 0.000 0.508 397 W N 2.158 123.444 121.300 -0.023 0.000 2.350 397 W HA 0.090 4.770 4.660 0.034 0.000 0.289 397 W C 0.784 177.286 176.519 -0.029 0.000 1.215 397 W CA 2.016 59.348 57.345 -0.022 0.000 1.236 397 W CB -0.292 29.150 29.460 -0.029 0.000 1.130 397 W HN 0.667 nan 8.180 nan 0.000 0.541 398 D N -0.699 119.794 120.400 0.155 0.000 4.621 398 D HA -0.237 4.423 4.640 0.033 0.000 0.241 398 D C 0.451 176.650 176.300 -0.168 0.000 1.065 398 D CA 1.447 55.443 54.000 -0.007 0.000 1.247 398 D CB -1.153 39.658 40.800 0.018 0.000 0.793 398 D HN 0.451 nan 8.370 nan 0.000 0.391 399 M N 0.008 119.428 119.600 -0.301 0.000 2.241 399 M HA 0.232 4.731 4.480 0.033 0.000 0.374 399 M C 0.568 176.630 176.300 -0.398 0.000 0.922 399 M CA -0.385 54.661 55.300 -0.423 0.000 1.031 399 M CB 0.682 32.924 32.600 -0.596 0.000 1.864 399 M HN 0.105 nan 8.290 nan 0.000 0.636 400 H N 1.211 120.226 119.070 -0.091 0.000 2.557 400 H HA 0.470 5.045 4.556 0.033 0.000 0.281 400 H C 1.622 176.925 175.328 -0.041 0.000 0.990 400 H CA 1.022 57.024 56.048 -0.077 0.000 1.278 400 H CB 0.197 29.959 29.762 -0.001 0.000 1.451 400 H HN 0.530 nan 8.280 nan 0.000 0.516 401 G N 1.344 110.195 108.800 0.084 0.000 2.591 401 G HA2 -0.352 3.628 3.960 0.033 0.000 0.298 401 G HA3 -0.352 3.628 3.960 0.033 0.000 0.298 401 G C 0.403 175.324 174.900 0.034 0.000 1.195 401 G CA 0.671 45.842 45.100 0.118 0.000 0.989 401 G HN 0.335 nan 8.290 nan 0.000 0.551 402 F N 2.616 122.627 119.950 0.102 0.000 2.664 402 F HA 0.425 4.972 4.527 0.034 0.000 0.303 402 F C 1.165 177.031 175.800 0.110 0.000 1.092 402 F CA 0.344 58.416 58.000 0.120 0.000 1.305 402 F CB 0.374 39.456 39.000 0.138 0.000 1.054 402 F HN 0.323 nan 8.300 nan 0.000 0.565 403 N N 0.607 119.415 118.700 0.180 0.000 2.812 403 N HA 0.060 4.820 4.740 0.033 0.000 0.262 403 N C -0.927 174.590 175.510 0.012 0.000 1.241 403 N CA -0.595 52.514 53.050 0.097 0.000 0.854 403 N CB 1.286 39.846 38.487 0.122 0.000 1.506 403 N HN -0.115 nan 8.380 nan 0.000 0.576 404 R N 3.884 124.343 120.500 -0.069 0.000 2.594 404 R HA 0.301 4.661 4.340 0.033 0.000 0.272 404 R C -0.901 175.270 176.300 -0.215 0.000 1.074 404 R CA 0.019 55.980 56.100 -0.232 0.000 1.105 404 R CB 0.610 30.419 30.300 -0.820 0.000 1.008 404 R HN 0.506 nan 8.270 nan 0.000 0.472 405 L N 2.877 124.008 121.223 -0.152 0.000 2.331 405 L HA 0.244 4.604 4.340 0.033 0.000 0.278 405 L C 0.745 177.519 176.870 -0.160 0.000 1.106 405 L CA -0.282 54.474 54.840 -0.140 0.000 0.824 405 L CB 1.152 43.185 42.059 -0.043 0.000 1.142 405 L HN 0.882 nan 8.230 nan 0.000 0.443 406 G N 1.926 110.592 108.800 -0.224 0.000 2.254 406 G HA2 0.349 4.329 3.960 0.033 0.000 0.253 406 G HA3 0.349 4.329 3.960 0.033 0.000 0.253 406 G C 0.877 175.783 174.900 0.010 0.000 1.246 406 G CA 0.566 45.524 45.100 -0.236 0.000 0.946 406 G HN 1.102 nan 8.290 nan 0.000 0.474 407 G N 1.953 110.898 108.800 0.242 0.000 2.213 407 G HA2 -0.270 3.710 3.960 0.033 0.000 0.226 407 G HA3 -0.270 3.710 3.960 0.033 0.000 0.226 407 G C 0.989 176.019 174.900 0.216 0.000 0.992 407 G CA 0.429 45.725 45.100 0.326 0.000 0.632 407 G HN 0.684 nan 8.290 nan 0.000 0.511 408 N N 0.309 119.080 118.700 0.118 0.000 2.392 408 N HA 0.053 4.813 4.740 0.033 0.000 0.177 408 N C 2.265 177.791 175.510 0.028 0.000 1.066 408 N CA 0.854 53.975 53.050 0.118 0.000 0.895 408 N CB 0.063 38.571 38.487 0.034 0.000 0.988 408 N HN 0.509 nan 8.380 nan 0.000 0.457 409 S N 0.507 116.146 115.700 -0.100 0.000 2.377 409 S HA -0.085 4.404 4.470 0.033 0.000 0.223 409 S C 2.328 176.964 174.600 0.059 0.000 1.030 409 S CA 0.968 59.091 58.200 -0.127 0.000 0.970 409 S CB -0.724 62.199 63.200 -0.461 0.000 0.830 409 S HN 0.220 nan 8.310 nan 0.000 0.473 410 V N 0.177 120.139 119.914 0.080 0.000 2.548 410 V HA -0.029 4.111 4.120 0.033 0.000 0.249 410 V C 2.445 178.643 176.094 0.173 0.000 1.055 410 V CA 1.723 64.092 62.300 0.115 0.000 1.065 410 V CB -1.211 30.677 31.823 0.109 0.000 0.681 410 V HN 0.482 nan 8.190 nan 0.000 0.462 411 S N 0.399 116.236 115.700 0.229 0.000 2.356 411 S HA -0.282 4.208 4.470 0.033 0.000 0.223 411 S C 2.143 176.991 174.600 0.414 0.000 1.032 411 S CA 1.953 60.367 58.200 0.358 0.000 1.005 411 S CB -0.444 63.081 63.200 0.541 0.000 0.867 411 S HN 0.835 nan 8.310 nan 0.000 0.449 412 E N 0.443 120.812 120.200 0.281 0.000 2.110 412 E HA -0.129 4.241 4.350 0.033 0.000 0.193 412 E C 2.103 178.793 176.600 0.149 0.000 0.988 412 E CA 1.024 57.553 56.400 0.214 0.000 0.804 412 E CB -0.418 29.340 29.700 0.096 0.000 0.745 412 E HN 0.576 nan 8.360 nan 0.000 0.458 413 A N 0.723 123.616 122.820 0.123 0.000 1.873 413 A HA -0.190 4.150 4.320 0.033 0.000 0.218 413 A C 2.426 180.040 177.584 0.050 0.000 1.193 413 A CA 1.979 54.055 52.037 0.064 0.000 0.629 413 A CB -0.862 18.184 19.000 0.076 0.000 0.826 413 A HN 0.236 nan 8.150 nan 0.000 0.447 414 V N -0.633 119.338 119.914 0.095 0.000 2.307 414 V HA -0.190 3.949 4.120 0.033 0.000 0.245 414 V C 2.540 178.663 176.094 0.049 0.000 1.045 414 V CA 1.784 64.131 62.300 0.079 0.000 1.024 414 V CB -0.913 30.971 31.823 0.102 0.000 0.651 414 V HN 0.352 nan 8.190 nan 0.000 0.449 415 V N 0.574 120.557 119.914 0.115 0.000 2.261 415 V HA -0.253 3.887 4.120 0.033 0.000 0.246 415 V C 2.788 178.908 176.094 0.043 0.000 1.047 415 V CA 2.163 64.533 62.300 0.117 0.000 1.015 415 V CB -1.197 30.842 31.823 0.359 0.000 0.642 415 V HN 0.545 nan 8.190 nan 0.000 0.446 416 A N 0.485 123.266 122.820 -0.065 0.000 1.940 416 A HA -0.121 4.219 4.320 0.033 0.000 0.219 416 A C 2.400 179.833 177.584 -0.252 0.000 1.176 416 A CA 1.963 53.714 52.037 -0.476 0.000 0.631 416 A CB -1.240 17.288 19.000 -0.786 0.000 0.814 416 A HN 0.560 nan 8.150 nan 0.000 0.446 417 G N -0.649 108.075 108.800 -0.126 0.000 2.432 417 G HA2 -0.209 3.771 3.960 0.033 0.000 0.219 417 G HA3 -0.209 3.771 3.960 0.033 0.000 0.219 417 G C 1.602 176.494 174.900 -0.014 0.000 1.135 417 G CA 1.257 46.320 45.100 -0.061 0.000 0.767 417 G HN 0.515 nan 8.290 nan 0.000 0.550 418 M N -0.315 119.260 119.600 -0.041 0.000 2.160 418 M HA 0.184 4.684 4.480 0.033 0.000 0.264 418 M C 2.514 178.819 176.300 0.007 0.000 1.073 418 M CA 1.071 56.335 55.300 -0.061 0.000 1.142 418 M CB -0.243 32.147 32.600 -0.350 0.000 1.358 418 M HN 0.139 nan 8.290 nan 0.000 0.422 419 I N -0.458 120.106 120.570 -0.010 0.000 2.193 419 I HA -0.186 4.004 4.170 0.033 0.000 0.240 419 I C 2.329 178.558 176.117 0.187 0.000 1.084 419 I CA 0.889 62.277 61.300 0.146 0.000 1.365 419 I CB -0.395 37.814 38.000 0.348 0.000 1.064 419 I HN 0.034 nan 8.210 nan 0.000 0.410 420 V N 1.346 121.335 119.914 0.125 0.000 2.490 420 V HA -0.203 3.937 4.120 0.033 0.000 0.250 420 V C 2.621 178.802 176.094 0.146 0.000 1.061 420 V CA 2.045 64.446 62.300 0.169 0.000 1.064 420 V CB -1.520 30.258 31.823 -0.074 0.000 0.670 420 V HN 0.596 nan 8.190 nan 0.000 0.461 421 G N -0.308 108.544 108.800 0.086 0.000 2.469 421 G HA2 -0.248 3.732 3.960 0.033 0.000 0.219 421 G HA3 -0.248 3.732 3.960 0.033 0.000 0.219 421 G C 1.507 176.482 174.900 0.126 0.000 1.150 421 G CA 0.831 46.008 45.100 0.128 0.000 0.763 421 G HN 0.482 nan 8.290 nan 0.000 0.561 422 E N 0.235 120.485 120.200 0.083 0.000 2.015 422 E HA -0.084 4.286 4.350 0.033 0.000 0.191 422 E C 2.310 178.901 176.600 -0.015 0.000 0.991 422 E CA 0.806 57.200 56.400 -0.009 0.000 0.802 422 E CB -0.544 29.095 29.700 -0.101 0.000 0.759 422 E HN 0.529 nan 8.360 nan 0.000 0.447 423 Y N 0.174 120.566 120.300 0.153 0.000 2.165 423 Y HA -0.215 4.354 4.550 0.033 0.000 0.286 423 Y C 2.235 178.185 175.900 0.083 0.000 1.155 423 Y CA 1.026 59.227 58.100 0.167 0.000 1.164 423 Y CB -0.740 37.862 38.460 0.237 0.000 0.978 423 Y HN 0.070 nan 8.280 nan 0.000 0.513 424 F N 0.326 120.180 119.950 -0.160 0.000 2.102 424 F HA -0.176 4.371 4.527 0.033 0.000 0.298 424 F C 2.337 177.982 175.800 -0.259 0.000 1.105 424 F CA 1.113 58.716 58.000 -0.662 0.000 1.239 424 F CB -0.980 37.636 39.000 -0.640 0.000 0.991 424 F HN -0.024 nan 8.300 nan 0.000 0.474 425 A N 0.001 122.699 122.820 -0.204 0.000 1.883 425 A HA -0.289 4.051 4.320 0.033 0.000 0.217 425 A C 2.282 179.773 177.584 -0.154 0.000 1.186 425 A CA 1.981 53.873 52.037 -0.241 0.000 0.624 425 A CB -1.182 17.761 19.000 -0.095 0.000 0.822 425 A HN 0.603 nan 8.150 nan 0.000 0.444 426 E N -1.079 119.101 120.200 -0.034 0.000 2.051 426 E HA -0.312 4.058 4.350 0.033 0.000 0.192 426 E C 1.879 178.497 176.600 0.030 0.000 0.991 426 E CA 1.580 57.995 56.400 0.025 0.000 0.799 426 E CB -0.330 29.438 29.700 0.113 0.000 0.748 426 E HN 0.836 nan 8.360 nan 0.000 0.449 427 H N -0.090 118.979 119.070 -0.003 0.000 2.290 427 H HA -0.170 4.405 4.556 0.033 0.000 0.298 427 H C 2.134 177.431 175.328 -0.051 0.000 1.087 427 H CA 2.622 58.699 56.048 0.049 0.000 1.291 427 H CB -0.607 29.262 29.762 0.179 0.000 1.369 427 H HN 0.282 nan 8.280 nan 0.000 0.492 428 C N 0.749 119.935 119.300 -0.190 0.000 2.413 428 C HA -0.092 4.388 4.460 0.033 0.000 0.276 428 C C 3.163 178.042 174.990 -0.185 0.000 1.248 428 C CA 1.127 59.999 59.018 -0.243 0.000 1.742 428 C CB -1.479 26.020 27.740 -0.402 0.000 2.017 428 C HN 0.815 nan 8.230 nan 0.000 0.481 429 A N 0.833 123.563 122.820 -0.150 0.000 1.898 429 A HA -0.174 4.166 4.320 0.033 0.000 0.216 429 A C 1.859 179.396 177.584 -0.078 0.000 1.181 429 A CA 1.957 53.940 52.037 -0.092 0.000 0.620 429 A CB -0.687 18.271 19.000 -0.069 0.000 0.819 429 A HN 0.793 nan 8.150 nan 0.000 0.442 430 N N -1.333 117.313 118.700 -0.091 0.000 2.220 430 N HA -0.012 4.748 4.740 0.033 0.000 0.182 430 N C 0.918 176.371 175.510 -0.094 0.000 1.023 430 N CA 0.801 53.810 53.050 -0.068 0.000 0.856 430 N CB -0.140 38.328 38.487 -0.031 0.000 0.997 430 N HN 0.372 nan 8.380 nan 0.000 0.429 431 T N 0.875 115.308 114.554 -0.202 0.000 2.903 431 T HA -0.012 4.358 4.350 0.033 0.000 0.314 431 T C -0.609 174.043 174.700 -0.080 0.000 1.078 431 T CA 0.140 62.127 62.100 -0.188 0.000 1.114 431 T CB 0.499 69.100 68.868 -0.444 0.000 0.987 431 T HN -0.028 nan 8.240 nan 0.000 0.548 432 Q N 2.674 122.468 119.800 -0.011 0.000 2.321 432 Q HA 0.522 4.882 4.340 0.033 0.000 0.270 432 Q C -1.021 175.026 176.000 0.078 0.000 1.032 432 Q CA -0.553 55.266 55.803 0.027 0.000 0.784 432 Q CB 2.119 30.870 28.738 0.020 0.000 1.264 432 Q HN 0.511 nan 8.270 nan 0.000 0.448 433 V N 1.970 121.945 119.914 0.102 0.000 2.667 433 V HA 0.304 4.444 4.120 0.033 0.000 0.308 433 V C -0.354 175.761 176.094 0.035 0.000 1.048 433 V CA -0.640 61.751 62.300 0.152 0.000 0.928 433 V CB 2.094 34.071 31.823 0.255 0.000 1.004 433 V HN 0.642 nan 8.190 nan 0.000 0.444 434 D N 4.552 124.931 120.400 -0.036 0.000 2.454 434 D HA 0.308 4.968 4.640 0.033 0.000 0.225 434 D C -0.732 175.359 176.300 -0.348 0.000 1.081 434 D CA -0.252 53.673 54.000 -0.125 0.000 0.864 434 D CB 0.976 41.744 40.800 -0.053 0.000 1.040 434 D HN 0.360 nan 8.370 nan 0.000 0.517 435 L N 3.799 124.864 121.223 -0.264 0.000 2.268 435 L HA 0.294 4.653 4.340 0.033 0.000 0.289 435 L C 0.506 177.273 176.870 -0.172 0.000 1.064 435 L CA -0.409 54.258 54.840 -0.288 0.000 0.824 435 L CB 0.820 42.797 42.059 -0.136 0.000 1.202 435 L HN 0.160 nan 8.230 nan 0.000 0.433 436 E N 1.175 121.273 120.200 -0.170 0.000 2.146 436 E HA 0.092 4.462 4.350 0.033 0.000 0.282 436 E C 1.026 177.607 176.600 -0.032 0.000 0.989 436 E CA -0.227 56.127 56.400 -0.076 0.000 0.799 436 E CB 1.432 31.102 29.700 -0.051 0.000 1.088 436 E HN 0.634 nan 8.360 nan 0.000 0.397 437 T N 0.635 115.176 114.554 -0.021 0.000 2.849 437 T HA -0.260 4.110 4.350 0.033 0.000 0.270 437 T C 1.683 176.392 174.700 0.016 0.000 1.066 437 T CA 1.117 63.216 62.100 -0.001 0.000 1.130 437 T CB 0.026 68.890 68.868 -0.006 0.000 0.864 437 T HN 0.344 nan 8.240 nan 0.000 0.481 438 K N 0.833 121.240 120.400 0.011 0.000 2.097 438 K HA -0.113 4.227 4.320 0.033 0.000 0.206 438 K C 2.275 178.899 176.600 0.040 0.000 1.049 438 K CA 1.668 57.965 56.287 0.016 0.000 0.933 438 K CB -0.387 32.118 32.500 0.008 0.000 0.717 438 K HN 0.396 nan 8.250 nan 0.000 0.442 439 T N 1.789 116.384 114.554 0.069 0.000 2.770 439 T HA -0.027 4.343 4.350 0.033 0.000 0.263 439 T C 1.787 176.640 174.700 0.255 0.000 1.039 439 T CA 0.992 63.189 62.100 0.161 0.000 1.142 439 T CB -0.081 68.895 68.868 0.180 0.000 0.868 439 T HN 0.133 nan 8.240 nan 0.000 0.435 440 L N 0.897 122.213 121.223 0.156 0.000 2.012 440 L HA -0.145 4.215 4.340 0.033 0.000 0.210 440 L C 2.719 179.680 176.870 0.153 0.000 1.073 440 L CA 1.658 56.589 54.840 0.153 0.000 0.748 440 L CB -0.724 41.379 42.059 0.074 0.000 0.891 440 L HN 0.348 nan 8.230 nan 0.000 0.431 441 E N 0.108 120.363 120.200 0.090 0.000 2.118 441 E HA -0.264 4.106 4.350 0.033 0.000 0.195 441 E C 2.200 178.827 176.600 0.045 0.000 0.992 441 E CA 1.184 57.618 56.400 0.057 0.000 0.804 441 E CB -0.011 29.706 29.700 0.027 0.000 0.741 441 E HN 0.343 nan 8.360 nan 0.000 0.458 442 K N 0.322 120.739 120.400 0.029 0.000 2.002 442 K HA -0.157 4.183 4.320 0.033 0.000 0.209 442 K C 1.885 178.412 176.600 -0.122 0.000 1.048 442 K CA 1.344 57.578 56.287 -0.088 0.000 0.930 442 K CB -0.133 32.250 32.500 -0.195 0.000 0.714 442 K HN 0.019 nan 8.250 nan 0.000 0.438 443 F N 0.514 120.459 119.950 -0.009 0.000 2.186 443 F HA -0.186 4.361 4.527 0.032 0.000 0.299 443 F C 2.235 178.041 175.800 0.009 0.000 1.090 443 F CA 0.834 58.832 58.000 -0.003 0.000 1.307 443 F CB -0.320 38.684 39.000 0.006 0.000 1.019 443 F HN -0.141 nan 8.300 nan 0.000 0.489 444 V N -0.025 120.003 119.914 0.190 0.000 2.323 444 V HA -0.257 3.883 4.120 0.033 0.000 0.244 444 V C 2.203 178.338 176.094 0.069 0.000 1.041 444 V CA 1.744 64.114 62.300 0.116 0.000 1.025 444 V CB -0.577 31.300 31.823 0.089 0.000 0.656 444 V HN 0.244 nan 8.190 nan 0.000 0.451 445 K N 0.298 120.724 120.400 0.044 0.000 2.147 445 K HA -0.086 4.254 4.320 0.033 0.000 0.205 445 K C 2.237 178.846 176.600 0.016 0.000 1.049 445 K CA 1.284 57.584 56.287 0.022 0.000 0.936 445 K CB -0.593 31.910 32.500 0.004 0.000 0.722 445 K HN 0.557 nan 8.250 nan 0.000 0.446 446 G N 1.268 110.067 108.800 -0.002 0.000 2.446 446 G HA2 -0.260 3.720 3.960 0.033 0.000 0.217 446 G HA3 -0.260 3.720 3.960 0.033 0.000 0.217 446 G C 1.417 176.340 174.900 0.039 0.000 1.168 446 G CA 0.508 45.596 45.100 -0.021 0.000 0.771 446 G HN 0.190 nan 8.290 nan 0.000 0.551 447 Q N 0.313 120.155 119.800 0.071 0.000 2.297 447 Q HA 0.015 4.375 4.340 0.033 0.000 0.204 447 Q C 2.348 178.405 176.000 0.094 0.000 0.962 447 Q CA 0.753 56.623 55.803 0.112 0.000 0.879 447 Q CB -0.095 28.694 28.738 0.085 0.000 0.947 447 Q HN 0.661 nan 8.270 nan 0.000 0.462 448 E N 0.696 120.933 120.200 0.060 0.000 2.072 448 E HA -0.082 4.288 4.350 0.033 0.000 0.190 448 E C 1.935 178.563 176.600 0.047 0.000 0.982 448 E CA 0.816 57.239 56.400 0.039 0.000 0.803 448 E CB -0.008 29.710 29.700 0.031 0.000 0.755 448 E HN 0.293 nan 8.360 nan 0.000 0.453 449 A N 1.147 124.004 122.820 0.061 0.000 1.877 449 A HA -0.229 4.111 4.320 0.033 0.000 0.216 449 A C 2.075 179.727 177.584 0.114 0.000 1.186 449 A CA 1.433 53.509 52.037 0.065 0.000 0.620 449 A CB -0.807 18.223 19.000 0.050 0.000 0.822 449 A HN 0.359 nan 8.150 nan 0.000 0.443 450 Y N 0.323 120.611 120.300 -0.020 0.000 2.097 450 Y HA -0.248 4.324 4.550 0.036 0.000 0.282 450 Y C 2.372 178.266 175.900 -0.010 0.000 1.152 450 Y CA 1.966 60.055 58.100 -0.018 0.000 1.136 450 Y CB -0.462 37.980 38.460 -0.030 0.000 0.975 450 Y HN 0.228 nan 8.280 nan 0.000 0.498 451 M N 0.516 120.058 119.600 -0.096 0.000 2.080 451 M HA -0.255 4.245 4.480 0.033 0.000 0.260 451 M C 2.271 178.511 176.300 -0.100 0.000 1.068 451 M CA 2.047 57.242 55.300 -0.176 0.000 1.109 451 M CB -1.343 31.203 32.600 -0.091 0.000 1.342 451 M HN 0.288 nan 8.290 nan 0.000 0.405 452 K N 0.510 120.890 120.400 -0.033 0.000 2.063 452 K HA -0.173 4.167 4.320 0.033 0.000 0.208 452 K C 2.163 178.753 176.600 -0.017 0.000 1.048 452 K CA 2.130 58.409 56.287 -0.014 0.000 0.928 452 K CB -0.082 32.422 32.500 0.007 0.000 0.713 452 K HN 0.396 nan 8.250 nan 0.000 0.442 453 S N 0.832 116.531 115.700 -0.002 0.000 2.382 453 S HA -0.141 4.349 4.470 0.033 0.000 0.228 453 S C 2.091 176.674 174.600 -0.028 0.000 1.027 453 S CA 1.066 59.272 58.200 0.010 0.000 0.991 453 S CB -0.560 62.681 63.200 0.069 0.000 0.823 453 S HN 0.352 nan 8.310 nan 0.000 0.469 454 L N 0.954 122.119 121.223 -0.097 0.000 2.017 454 L HA -0.041 4.319 4.340 0.033 0.000 0.208 454 L C 2.751 179.576 176.870 -0.075 0.000 1.073 454 L CA 1.195 55.962 54.840 -0.122 0.000 0.745 454 L CB -0.744 41.179 42.059 -0.226 0.000 0.894 454 L HN 0.247 nan 8.230 nan 0.000 0.432 455 V N -0.147 119.728 119.914 -0.063 0.000 2.594 455 V HA -0.237 3.903 4.120 0.033 0.000 0.253 455 V C 1.939 178.017 176.094 -0.027 0.000 1.069 455 V CA 1.662 63.938 62.300 -0.040 0.000 1.082 455 V CB -0.504 31.301 31.823 -0.029 0.000 0.680 455 V HN 0.499 nan 8.190 nan 0.000 0.469 456 E N -0.653 119.534 120.200 -0.022 0.000 2.481 456 E HA 0.113 4.483 4.350 0.033 0.000 0.198 456 E C 0.987 177.580 176.600 -0.011 0.000 1.027 456 E CA -0.056 56.336 56.400 -0.012 0.000 0.900 456 E CB 0.446 30.143 29.700 -0.005 0.000 0.993 456 E HN 0.420 nan 8.360 nan 0.000 0.482 457 S N 1.132 116.822 115.700 -0.017 0.000 2.546 457 S HA -0.012 4.478 4.470 0.033 0.000 0.290 457 S C 0.693 175.285 174.600 -0.013 0.000 1.290 457 S CA 0.015 58.206 58.200 -0.014 0.000 1.069 457 S CB 0.546 63.733 63.200 -0.022 0.000 0.846 457 S HN 0.011 nan 8.310 nan 0.000 0.495 458 K N 3.500 123.894 120.400 -0.009 0.000 2.387 458 K HA 0.257 4.597 4.320 0.033 0.000 0.198 458 K C 1.155 177.750 176.600 -0.009 0.000 1.022 458 K CA 0.224 56.507 56.287 -0.007 0.000 1.128 458 K CB 0.013 32.511 32.500 -0.004 0.000 0.853 458 K HN 0.698 nan 8.250 nan 0.000 0.523 459 G N 0.573 109.366 108.800 -0.012 0.000 2.568 459 G HA2 -0.061 3.919 3.960 0.033 0.000 0.231 459 G HA3 -0.061 3.919 3.960 0.033 0.000 0.231 459 G C 0.713 175.605 174.900 -0.012 0.000 1.261 459 G CA 0.273 45.364 45.100 -0.014 0.000 0.855 459 G HN 0.322 nan 8.290 nan 0.000 0.576 460 T N -1.733 112.815 114.554 -0.010 0.000 3.054 460 T HA 0.235 4.605 4.350 0.033 0.000 0.255 460 T C 0.484 175.182 174.700 -0.004 0.000 1.035 460 T CA -0.248 61.849 62.100 -0.005 0.000 0.941 460 T CB 0.394 69.261 68.868 -0.001 0.000 1.026 460 T HN 0.403 nan 8.240 nan 0.000 0.533 461 E N 2.530 122.723 120.200 -0.011 0.000 2.390 461 E HA 0.208 4.578 4.350 0.033 0.000 0.261 461 E C -0.707 175.885 176.600 -0.013 0.000 1.076 461 E CA -0.113 56.280 56.400 -0.012 0.000 0.905 461 E CB 0.739 30.425 29.700 -0.023 0.000 0.984 461 E HN 0.337 nan 8.360 nan 0.000 0.427 462 D N 1.997 122.396 120.400 -0.002 0.000 2.303 462 D HA 0.048 4.708 4.640 0.033 0.000 0.236 462 D C 0.806 177.087 176.300 -0.032 0.000 1.068 462 D CA -0.465 53.541 54.000 0.010 0.000 0.830 462 D CB 1.810 42.646 40.800 0.060 0.000 1.109 462 D HN 0.129 nan 8.370 nan 0.000 0.496 463 V N 5.097 124.934 119.914 -0.127 0.000 2.332 463 V HA -0.249 3.891 4.120 0.033 0.000 0.248 463 V C 1.656 177.578 176.094 -0.287 0.000 1.055 463 V CA 1.736 63.876 62.300 -0.268 0.000 1.038 463 V CB -0.523 31.028 31.823 -0.454 0.000 0.651 463 V HN 0.526 nan 8.190 nan 0.000 0.450 464 F N 0.689 120.621 119.950 -0.030 0.000 2.146 464 F HA -0.058 4.487 4.527 0.030 0.000 0.298 464 F C 2.384 178.176 175.800 -0.013 0.000 1.096 464 F CA 1.860 59.844 58.000 -0.025 0.000 1.275 464 F CB -0.601 38.385 39.000 -0.025 0.000 1.008 464 F HN 0.127 nan 8.300 nan 0.000 0.480 465 K N -0.039 120.458 120.400 0.162 0.000 2.097 465 K HA -0.111 4.228 4.320 0.033 0.000 0.205 465 K C 2.012 178.645 176.600 0.056 0.000 1.050 465 K CA 1.108 57.453 56.287 0.097 0.000 0.938 465 K CB -0.202 32.342 32.500 0.074 0.000 0.718 465 K HN 0.181 nan 8.250 nan 0.000 0.442 466 I N 1.674 122.258 120.570 0.025 0.000 2.252 466 I HA -0.234 3.956 4.170 0.033 0.000 0.245 466 I C 2.409 178.531 176.117 0.008 0.000 1.102 466 I CA 1.422 62.726 61.300 0.006 0.000 1.385 466 I CB -0.688 37.298 38.000 -0.023 0.000 1.064 466 I HN 0.196 nan 8.210 nan 0.000 0.414 467 K N 1.431 121.828 120.400 -0.005 0.000 2.026 467 K HA -0.170 4.170 4.320 0.033 0.000 0.208 467 K C 1.801 178.421 176.600 0.033 0.000 1.048 467 K CA 1.830 58.117 56.287 -0.000 0.000 0.929 467 K CB -0.075 32.414 32.500 -0.019 0.000 0.713 467 K HN 0.362 nan 8.250 nan 0.000 0.439 468 N N -0.126 118.613 118.700 0.064 0.000 2.166 468 N HA -0.179 4.580 4.740 0.033 0.000 0.186 468 N C 1.826 177.367 175.510 0.052 0.000 1.019 468 N CA 0.710 53.799 53.050 0.065 0.000 0.856 468 N CB -0.055 38.480 38.487 0.081 0.000 0.993 468 N HN 0.050 nan 8.380 nan 0.000 0.426 469 R N 1.650 122.178 120.500 0.046 0.000 2.092 469 R HA 0.010 4.370 4.340 0.033 0.000 0.231 469 R C 2.044 178.364 176.300 0.032 0.000 1.119 469 R CA 1.113 57.238 56.100 0.042 0.000 0.970 469 R CB -0.459 29.865 30.300 0.039 0.000 0.864 469 R HN 0.290 nan 8.270 nan 0.000 0.440 470 M N 0.684 120.297 119.600 0.021 0.000 2.086 470 M HA -0.193 4.306 4.480 0.033 0.000 0.261 470 M C 1.365 177.654 176.300 -0.017 0.000 1.067 470 M CA 2.059 57.360 55.300 0.002 0.000 1.116 470 M CB -0.161 32.435 32.600 -0.007 0.000 1.348 470 M HN 0.122 nan 8.290 nan 0.000 0.407 471 K N -0.666 119.733 120.400 -0.002 0.000 2.211 471 K HA -0.121 4.219 4.320 0.033 0.000 0.203 471 K C 1.235 177.858 176.600 0.038 0.000 1.050 471 K CA 1.371 57.658 56.287 0.001 0.000 0.945 471 K CB -0.400 32.122 32.500 0.037 0.000 0.732 471 K HN 0.383 nan 8.250 nan 0.000 0.451 472 D N 1.371 121.802 120.400 0.051 0.000 2.103 472 D HA -0.077 4.582 4.640 0.033 0.000 0.199 472 D C 2.171 178.514 176.300 0.072 0.000 0.978 472 D CA 0.858 54.904 54.000 0.076 0.000 0.829 472 D CB -0.203 40.641 40.800 0.074 0.000 0.981 472 D HN -0.045 nan 8.370 nan 0.000 0.464 473 V N 1.558 121.500 119.914 0.047 0.000 2.282 473 V HA -0.284 3.856 4.120 0.033 0.000 0.249 473 V C 2.546 178.663 176.094 0.037 0.000 1.057 473 V CA 1.343 63.670 62.300 0.046 0.000 1.032 473 V CB -0.393 31.447 31.823 0.029 0.000 0.645 473 V HN 0.219 nan 8.190 nan 0.000 0.447 474 M N -0.616 118.963 119.600 -0.035 0.000 2.117 474 M HA -0.162 4.338 4.480 0.033 0.000 0.262 474 M C 2.028 178.374 176.300 0.076 0.000 1.065 474 M CA 1.710 56.926 55.300 -0.140 0.000 1.114 474 M CB -1.405 30.873 32.600 -0.537 0.000 1.361 474 M HN 0.342 nan 8.290 nan 0.000 0.408 475 D N 0.713 121.221 120.400 0.180 0.000 2.097 475 D HA -0.135 4.525 4.640 0.033 0.000 0.195 475 D C 1.538 177.978 176.300 0.233 0.000 0.989 475 D CA 1.164 55.366 54.000 0.337 0.000 0.827 475 D CB -0.134 40.833 40.800 0.278 0.000 0.966 475 D HN 0.292 nan 8.370 nan 0.000 0.456 476 D N -0.355 120.142 120.400 0.162 0.000 2.224 476 D HA -0.026 4.634 4.640 0.033 0.000 0.205 476 D C 1.370 177.745 176.300 0.126 0.000 0.965 476 D CA 0.656 54.734 54.000 0.131 0.000 0.852 476 D CB -0.024 40.848 40.800 0.120 0.000 0.947 476 D HN 0.256 nan 8.370 nan 0.000 0.494 477 N N -0.395 118.390 118.700 0.142 0.000 2.332 477 N HA 0.026 4.786 4.740 0.033 0.000 0.190 477 N C 0.581 176.188 175.510 0.162 0.000 1.117 477 N CA 0.233 53.372 53.050 0.148 0.000 0.883 477 N CB 1.875 40.456 38.487 0.157 0.000 1.089 477 N HN -0.001 nan 8.380 nan 0.000 0.480 478 V N 0.603 120.640 119.914 0.205 0.000 2.887 478 V HA 0.430 4.569 4.120 0.033 0.000 0.370 478 V C 1.081 177.439 176.094 0.440 0.000 1.322 478 V CA -0.507 61.959 62.300 0.276 0.000 1.267 478 V CB 0.322 32.281 31.823 0.226 0.000 1.344 478 V HN 0.067 nan 8.190 nan 0.000 0.573 479 G N 0.117 109.081 108.800 0.273 0.000 2.829 479 G HA2 0.416 4.396 3.960 0.033 0.000 0.173 479 G HA3 0.416 4.396 3.960 0.033 0.000 0.173 479 G C 0.963 175.671 174.900 -0.319 0.000 1.476 479 G CA -0.465 44.666 45.100 0.052 0.000 1.072 479 G HN 0.187 nan 8.290 nan 0.000 0.577 480 I N -0.672 119.437 120.570 -0.769 0.000 2.208 480 I HA -0.038 4.152 4.170 0.033 0.000 0.245 480 I C 0.237 176.023 176.117 -0.551 0.000 1.097 480 I CA 0.952 61.783 61.300 -0.781 0.000 1.363 480 I CB -0.120 37.324 38.000 -0.927 0.000 1.051 480 I HN -0.047 nan 8.210 nan 0.000 0.413 481 F N 0.756 120.617 119.950 -0.147 0.000 2.444 481 F HA 0.513 5.060 4.527 0.033 0.000 0.342 481 F C 0.141 175.909 175.800 -0.055 0.000 1.121 481 F CA -0.708 57.238 58.000 -0.090 0.000 0.997 481 F CB 1.080 40.019 39.000 -0.102 0.000 1.130 481 F HN -0.220 nan 8.300 nan 0.000 0.454 482 R N 1.554 122.167 120.500 0.190 0.000 2.686 482 R HA 0.586 4.946 4.340 0.033 0.000 0.283 482 R C -1.708 174.660 176.300 0.114 0.000 0.978 482 R CA -1.106 55.077 56.100 0.137 0.000 0.897 482 R CB 2.463 32.874 30.300 0.183 0.000 1.192 482 R HN 0.724 nan 8.270 nan 0.000 0.457 483 D N -0.191 120.280 120.400 0.118 0.000 2.732 483 D HA 0.298 4.958 4.640 0.033 0.000 0.229 483 D C 0.805 177.216 176.300 0.185 0.000 1.152 483 D CA -0.914 53.172 54.000 0.144 0.000 0.854 483 D CB 1.571 42.447 40.800 0.126 0.000 1.590 483 D HN 0.367 nan 8.370 nan 0.000 0.468 484 G N 1.095 110.005 108.800 0.182 0.000 2.586 484 G HA2 -0.208 3.772 3.960 0.033 0.000 0.218 484 G HA3 -0.208 3.772 3.960 0.033 0.000 0.218 484 G C -0.792 174.192 174.900 0.140 0.000 1.216 484 G CA 1.075 46.269 45.100 0.157 0.000 0.786 484 G HN 0.538 nan 8.290 nan 0.000 0.583 485 P HA -0.178 nan 4.420 nan 0.000 0.217 485 P C 1.240 178.556 177.300 0.026 0.000 1.162 485 P CA 1.777 64.914 63.100 0.062 0.000 0.901 485 P CB -0.209 31.518 31.700 0.045 0.000 0.793 486 H N -1.705 117.400 119.070 0.057 0.000 2.389 486 H HA 0.008 4.583 4.556 0.033 0.000 0.299 486 H C 1.927 177.293 175.328 0.064 0.000 1.081 486 H CA 0.923 57.006 56.048 0.059 0.000 1.345 486 H CB -1.024 28.777 29.762 0.065 0.000 1.393 486 H HN 0.055 nan 8.280 nan 0.000 0.520 487 L N 0.252 121.592 121.223 0.194 0.000 2.083 487 L HA -0.161 4.199 4.340 0.033 0.000 0.209 487 L C 2.098 179.023 176.870 0.091 0.000 1.083 487 L CA 1.336 56.258 54.840 0.136 0.000 0.752 487 L CB -0.290 41.846 42.059 0.128 0.000 0.899 487 L HN 0.393 nan 8.230 nan 0.000 0.433 488 E N 0.025 120.270 120.200 0.075 0.000 2.106 488 E HA -0.243 4.127 4.350 0.033 0.000 0.192 488 E C 2.136 178.758 176.600 0.037 0.000 0.984 488 E CA 0.879 57.308 56.400 0.048 0.000 0.806 488 E CB 0.039 29.762 29.700 0.038 0.000 0.750 488 E HN 0.336 nan 8.360 nan 0.000 0.458 489 K N 0.750 121.168 120.400 0.031 0.000 2.057 489 K HA -0.122 4.218 4.320 0.033 0.000 0.206 489 K C 2.124 178.748 176.600 0.041 0.000 1.050 489 K CA 1.070 57.368 56.287 0.019 0.000 0.935 489 K CB -0.048 32.444 32.500 -0.013 0.000 0.715 489 K HN 0.051 nan 8.250 nan 0.000 0.439 490 A N 0.729 123.586 122.820 0.062 0.000 1.855 490 A HA -0.110 4.230 4.320 0.033 0.000 0.215 490 A C 2.245 179.857 177.584 0.047 0.000 1.191 490 A CA 1.620 53.693 52.037 0.061 0.000 0.613 490 A CB -0.780 18.266 19.000 0.077 0.000 0.829 490 A HN 0.153 nan 8.150 nan 0.000 0.442 491 V N 0.757 120.698 119.914 0.046 0.000 2.282 491 V HA -0.311 3.829 4.120 0.033 0.000 0.249 491 V C 2.580 178.697 176.094 0.038 0.000 1.057 491 V CA 2.345 64.667 62.300 0.037 0.000 1.032 491 V CB -0.695 31.148 31.823 0.032 0.000 0.645 491 V HN 0.463 nan 8.190 nan 0.000 0.447 492 K N -0.174 120.248 120.400 0.037 0.000 2.032 492 K HA -0.245 4.095 4.320 0.033 0.000 0.209 492 K C 2.174 178.802 176.600 0.045 0.000 1.048 492 K CA 1.934 58.243 56.287 0.037 0.000 0.927 492 K CB -0.297 32.221 32.500 0.029 0.000 0.712 492 K HN 0.639 nan 8.250 nan 0.000 0.441 493 E N 0.828 121.054 120.200 0.044 0.000 2.107 493 E HA -0.088 4.282 4.350 0.033 0.000 0.191 493 E C 2.166 178.800 176.600 0.057 0.000 0.982 493 E CA 0.434 56.862 56.400 0.047 0.000 0.809 493 E CB 0.049 29.775 29.700 0.042 0.000 0.756 493 E HN 0.157 nan 8.360 nan 0.000 0.459 494 L N 0.837 122.093 121.223 0.055 0.000 2.083 494 L HA -0.183 4.176 4.340 0.033 0.000 0.209 494 L C 2.687 179.622 176.870 0.108 0.000 1.083 494 L CA 1.613 56.490 54.840 0.063 0.000 0.752 494 L CB -0.427 41.654 42.059 0.037 0.000 0.899 494 L HN 0.291 nan 8.230 nan 0.000 0.433 495 E N 0.265 120.528 120.200 0.105 0.000 2.150 495 E HA -0.273 4.097 4.350 0.033 0.000 0.193 495 E C 2.044 178.750 176.600 0.177 0.000 0.985 495 E CA 1.186 57.678 56.400 0.154 0.000 0.814 495 E CB 0.102 29.864 29.700 0.104 0.000 0.752 495 E HN 0.478 nan 8.360 nan 0.000 0.466 496 E N -0.224 120.044 120.200 0.113 0.000 2.076 496 E HA -0.146 4.224 4.350 0.033 0.000 0.190 496 E C 2.044 178.693 176.600 0.083 0.000 0.979 496 E CA 0.360 56.812 56.400 0.086 0.000 0.807 496 E CB 0.091 29.825 29.700 0.057 0.000 0.761 496 E HN 0.219 nan 8.360 nan 0.000 0.454 497 L N 0.736 122.013 121.223 0.090 0.000 2.079 497 L HA -0.191 4.168 4.340 0.033 0.000 0.210 497 L C 2.175 179.106 176.870 0.101 0.000 1.081 497 L CA 1.600 56.486 54.840 0.076 0.000 0.752 497 L CB -1.156 40.946 42.059 0.072 0.000 0.896 497 L HN 0.322 nan 8.230 nan 0.000 0.433 498 Y N 0.561 120.876 120.300 0.024 0.000 2.145 498 Y HA -0.259 4.311 4.550 0.033 0.000 0.286 498 Y C 2.428 178.346 175.900 0.031 0.000 1.145 498 Y CA 1.849 59.966 58.100 0.028 0.000 1.148 498 Y CB -0.170 38.327 38.460 0.061 0.000 0.981 498 Y HN 0.160 nan 8.280 nan 0.000 0.507 499 K N 0.177 120.530 120.400 -0.078 0.000 2.057 499 K HA -0.143 4.196 4.320 0.033 0.000 0.206 499 K C 1.965 178.487 176.600 -0.131 0.000 1.050 499 K CA 1.844 58.037 56.287 -0.156 0.000 0.935 499 K CB -0.129 32.365 32.500 -0.011 0.000 0.715 499 K HN 0.311 nan 8.250 nan 0.000 0.439 500 K N 0.765 121.127 120.400 -0.064 0.000 2.217 500 K HA -0.066 4.274 4.320 0.033 0.000 0.202 500 K C 2.201 178.758 176.600 -0.072 0.000 1.051 500 K CA 1.408 57.665 56.287 -0.050 0.000 0.952 500 K CB -0.100 32.389 32.500 -0.017 0.000 0.736 500 K HN 0.132 nan 8.250 nan 0.000 0.453 501 S N 1.597 117.241 115.700 -0.094 0.000 2.469 501 S HA -0.118 4.372 4.470 0.033 0.000 0.238 501 S C 1.495 176.028 174.600 -0.112 0.000 0.998 501 S CA 0.992 59.135 58.200 -0.094 0.000 0.957 501 S CB -0.133 63.022 63.200 -0.074 0.000 0.764 501 S HN 0.240 nan 8.310 nan 0.000 0.514 502 K N 0.963 121.272 120.400 -0.151 0.000 2.404 502 K HA 0.260 4.600 4.320 0.033 0.000 0.194 502 K C 0.340 176.902 176.600 -0.063 0.000 1.023 502 K CA 0.025 56.244 56.287 -0.113 0.000 1.094 502 K CB 0.117 32.514 32.500 -0.171 0.000 0.841 502 K HN 0.324 nan 8.250 nan 0.000 0.523 503 N N 0.778 119.442 118.700 -0.059 0.000 2.351 503 N HA 0.073 4.833 4.740 0.033 0.000 0.254 503 N C -0.711 174.776 175.510 -0.037 0.000 1.241 503 N CA 0.003 53.029 53.050 -0.039 0.000 0.883 503 N CB 1.172 39.639 38.487 -0.033 0.000 1.202 503 N HN -0.131 nan 8.380 nan 0.000 0.512 504 V N 0.410 120.295 119.914 -0.048 0.000 2.775 504 V HA 0.524 4.664 4.120 0.033 0.000 0.299 504 V C 0.911 176.977 176.094 -0.047 0.000 1.062 504 V CA -0.264 62.003 62.300 -0.055 0.000 1.063 504 V CB 1.451 33.224 31.823 -0.083 0.000 0.994 504 V HN 0.253 nan 8.190 nan 0.000 0.483 505 G N 3.555 112.330 108.800 -0.042 0.000 2.591 505 G HA2 0.718 4.698 3.960 0.033 0.000 0.306 505 G HA3 0.718 4.698 3.960 0.033 0.000 0.306 505 G C -1.362 173.517 174.900 -0.035 0.000 1.334 505 G CA -0.610 44.469 45.100 -0.033 0.000 0.981 505 G HN 0.743 nan 8.290 nan 0.000 0.491 506 I N -1.323 119.226 120.570 -0.036 0.000 2.569 506 I HA 0.569 4.759 4.170 0.033 0.000 0.296 506 I C 0.826 176.935 176.117 -0.014 0.000 1.028 506 I CA -1.292 59.991 61.300 -0.029 0.000 1.082 506 I CB 2.096 40.065 38.000 -0.052 0.000 1.264 506 I HN 0.492 nan 8.210 nan 0.000 0.429 507 K N 2.182 122.582 120.400 0.001 0.000 1.985 507 K HA 0.023 4.363 4.320 0.033 0.000 0.210 507 K C 0.218 176.814 176.600 -0.006 0.000 1.047 507 K CA 1.293 57.582 56.287 0.003 0.000 0.932 507 K CB -0.269 32.239 32.500 0.013 0.000 0.716 507 K HN 0.637 nan 8.250 nan 0.000 0.439 508 N N 2.052 120.746 118.700 -0.009 0.000 2.452 508 N HA -0.021 4.739 4.740 0.033 0.000 0.266 508 N C 0.479 175.970 175.510 -0.031 0.000 1.175 508 N CA 0.280 53.316 53.050 -0.023 0.000 0.945 508 N CB 1.467 39.935 38.487 -0.031 0.000 1.063 508 N HN -0.001 nan 8.380 nan 0.000 0.472 509 K N 1.724 122.108 120.400 -0.027 0.000 2.356 509 K HA 0.024 4.364 4.320 0.033 0.000 0.195 509 K C 0.513 177.099 176.600 -0.024 0.000 1.037 509 K CA 0.181 56.455 56.287 -0.022 0.000 1.014 509 K CB 0.205 32.700 32.500 -0.009 0.000 0.815 509 K HN 0.593 nan 8.250 nan 0.000 0.507 510 R N -0.054 120.418 120.500 -0.048 0.000 2.861 510 R HA 0.017 4.377 4.340 0.033 0.000 0.268 510 R C 0.451 176.718 176.300 -0.055 0.000 1.027 510 R CA 0.276 56.341 56.100 -0.059 0.000 1.163 510 R CB 0.143 30.306 30.300 -0.227 0.000 1.060 510 R HN 0.013 nan 8.270 nan 0.000 0.483 511 L N 0.186 121.425 121.223 0.027 0.000 2.590 511 L HA 0.130 4.490 4.340 0.033 0.000 0.227 511 L C 0.682 177.598 176.870 0.077 0.000 1.099 511 L CA -0.355 54.514 54.840 0.048 0.000 0.872 511 L CB -0.241 41.864 42.059 0.075 0.000 1.088 511 L HN 0.722 nan 8.230 nan 0.000 0.479 512 H N -0.640 118.442 119.070 0.020 0.000 2.525 512 H HA 0.457 5.014 4.556 0.002 0.000 0.340 512 H C 0.509 175.852 175.328 0.024 0.000 1.168 512 H CA -0.499 55.563 56.048 0.023 0.000 1.247 512 H CB 1.169 30.942 29.762 0.018 0.000 1.568 512 H HN -0.040 nan 8.280 nan 0.000 0.536 513 A N 2.368 125.221 122.820 0.055 0.000 2.151 513 A HA -0.292 4.048 4.320 0.033 0.000 0.271 513 A C 0.048 177.580 177.584 -0.088 0.000 1.348 513 A CA 1.152 53.189 52.037 0.000 0.000 0.763 513 A CB -2.243 16.792 19.000 0.059 0.000 1.117 513 A HN 0.746 nan 8.150 nan 0.000 0.342 514 N N 0.936 119.597 118.700 -0.065 0.000 2.696 514 N HA 0.336 5.096 4.740 0.033 0.000 0.246 514 N C -1.296 174.192 175.510 -0.037 0.000 1.057 514 N CA -1.889 51.119 53.050 -0.071 0.000 0.867 514 N CB 1.248 39.687 38.487 -0.080 0.000 1.141 514 N HN 0.210 nan 8.380 nan 0.000 0.517 515 P HA -0.141 nan 4.420 nan 0.000 0.220 515 P C 0.924 178.211 177.300 -0.022 0.000 1.148 515 P CA 0.995 64.090 63.100 -0.009 0.000 0.803 515 P CB 0.746 32.462 31.700 0.027 0.000 0.782 516 E N -0.301 119.894 120.200 -0.007 0.000 2.072 516 E HA -0.150 4.220 4.350 0.033 0.000 0.191 516 E C 1.995 178.509 176.600 -0.143 0.000 0.985 516 E CA 0.494 56.873 56.400 -0.037 0.000 0.801 516 E CB -0.420 29.289 29.700 0.016 0.000 0.750 516 E HN 0.009 nan 8.360 nan 0.000 0.452 517 L N 1.470 122.628 121.223 -0.108 0.000 2.141 517 L HA -0.113 4.247 4.340 0.033 0.000 0.209 517 L C 1.732 178.453 176.870 -0.247 0.000 1.094 517 L CA 1.736 56.511 54.840 -0.108 0.000 0.763 517 L CB -0.265 41.784 42.059 -0.017 0.000 0.908 517 L HN 0.113 nan 8.230 nan 0.000 0.437 518 E N -0.539 119.481 120.200 -0.301 0.000 2.051 518 E HA -0.204 4.166 4.350 0.033 0.000 0.192 518 E C 1.990 178.104 176.600 -0.810 0.000 0.991 518 E CA 1.368 57.374 56.400 -0.656 0.000 0.799 518 E CB -0.081 29.451 29.700 -0.280 0.000 0.748 518 E HN 0.515 nan 8.360 nan 0.000 0.449 519 E N 0.458 120.374 120.200 -0.472 0.000 2.110 519 E HA -0.180 4.190 4.350 0.033 0.000 0.193 519 E C 2.071 178.411 176.600 -0.432 0.000 0.988 519 E CA 0.906 57.037 56.400 -0.448 0.000 0.804 519 E CB -0.250 29.125 29.700 -0.542 0.000 0.745 519 E HN 0.243 nan 8.360 nan 0.000 0.458 520 A N 1.393 123.976 122.820 -0.395 0.000 1.892 520 A HA -0.222 4.117 4.320 0.033 0.000 0.218 520 A C 2.073 179.555 177.584 -0.170 0.000 1.188 520 A CA 1.984 53.865 52.037 -0.260 0.000 0.631 520 A CB -0.924 17.960 19.000 -0.193 0.000 0.822 520 A HN 0.471 nan 8.150 nan 0.000 0.447 521 Y N -2.229 117.995 120.300 -0.126 0.000 2.510 521 Y HA 0.352 4.920 4.550 0.030 0.000 0.273 521 Y C 2.076 177.990 175.900 0.023 0.000 1.119 521 Y CA 0.259 58.342 58.100 -0.029 0.000 1.286 521 Y CB -0.257 38.171 38.460 -0.053 0.000 1.061 521 Y HN 0.097 nan 8.280 nan 0.000 0.542 522 R N 0.653 121.008 120.500 -0.242 0.000 2.062 522 R HA -0.024 4.336 4.340 0.033 0.000 0.226 522 R C 2.161 178.422 176.300 -0.066 0.000 1.125 522 R CA 1.335 57.367 56.100 -0.113 0.000 0.966 522 R CB -0.522 29.637 30.300 -0.235 0.000 0.861 522 R HN 0.259 nan 8.270 nan 0.000 0.433 523 V N 1.705 121.551 119.914 -0.113 0.000 2.324 523 V HA -0.185 3.955 4.120 0.033 0.000 0.250 523 V C -0.967 175.125 176.094 -0.002 0.000 1.060 523 V CA 1.924 64.180 62.300 -0.074 0.000 1.042 523 V CB -1.167 30.587 31.823 -0.116 0.000 0.650 523 V HN 0.233 nan 8.190 nan 0.000 0.450 524 P HA -0.145 nan 4.420 nan 0.000 0.216 524 P C 1.943 179.302 177.300 0.097 0.000 1.150 524 P CA 1.581 64.762 63.100 0.136 0.000 0.837 524 P CB -0.084 31.703 31.700 0.144 0.000 0.786 525 M N -2.220 117.398 119.600 0.031 0.000 2.132 525 M HA -0.105 4.395 4.480 0.033 0.000 0.263 525 M C 2.162 178.406 176.300 -0.094 0.000 1.065 525 M CA 1.840 57.108 55.300 -0.053 0.000 1.122 525 M CB -0.672 31.921 32.600 -0.012 0.000 1.365 525 M HN -0.071 nan 8.290 nan 0.000 0.411 526 M N -0.032 119.535 119.600 -0.055 0.000 2.149 526 M HA -0.221 4.279 4.480 0.033 0.000 0.261 526 M C 2.062 178.314 176.300 -0.080 0.000 1.064 526 M CA 1.526 56.787 55.300 -0.065 0.000 1.102 526 M CB -0.502 32.071 32.600 -0.044 0.000 1.369 526 M HN 0.297 nan 8.290 nan 0.000 0.408 527 L N -0.007 121.188 121.223 -0.047 0.000 2.093 527 L HA -0.205 4.155 4.340 0.033 0.000 0.208 527 L C 2.393 179.171 176.870 -0.153 0.000 1.085 527 L CA 1.302 56.120 54.840 -0.037 0.000 0.755 527 L CB -0.460 41.669 42.059 0.116 0.000 0.904 527 L HN 0.273 nan 8.230 nan 0.000 0.435 528 K N -0.664 119.555 120.400 -0.301 0.000 2.148 528 K HA -0.102 4.237 4.320 0.033 0.000 0.204 528 K C 1.996 178.443 176.600 -0.256 0.000 1.050 528 K CA 0.961 56.953 56.287 -0.492 0.000 0.942 528 K CB -0.215 31.734 32.500 -0.919 0.000 0.724 528 K HN 0.121 nan 8.250 nan 0.000 0.446 529 V N 1.634 121.407 119.914 -0.235 0.000 2.323 529 V HA -0.210 3.930 4.120 0.033 0.000 0.244 529 V C 2.423 178.381 176.094 -0.227 0.000 1.041 529 V CA 1.971 64.122 62.300 -0.249 0.000 1.025 529 V CB -0.560 31.104 31.823 -0.265 0.000 0.656 529 V HN 0.350 nan 8.190 nan 0.000 0.451 530 A N -0.324 122.398 122.820 -0.164 0.000 1.933 530 A HA -0.174 4.166 4.320 0.033 0.000 0.218 530 A C 2.211 179.744 177.584 -0.086 0.000 1.175 530 A CA 1.750 53.709 52.037 -0.131 0.000 0.628 530 A CB -0.561 18.374 19.000 -0.108 0.000 0.814 530 A HN 0.499 nan 8.150 nan 0.000 0.444 531 L N -0.822 120.370 121.223 -0.052 0.000 2.079 531 L HA -0.269 4.091 4.340 0.033 0.000 0.210 531 L C 2.691 179.561 176.870 -0.001 0.000 1.081 531 L CA 1.349 56.190 54.840 0.002 0.000 0.752 531 L CB -0.618 41.485 42.059 0.073 0.000 0.896 531 L HN 0.509 nan 8.230 nan 0.000 0.433 532 C N -1.302 117.988 119.300 -0.018 0.000 2.425 532 C HA -0.107 4.373 4.460 0.033 0.000 0.277 532 C C 2.767 177.718 174.990 -0.065 0.000 1.280 532 C CA 0.371 59.365 59.018 -0.040 0.000 1.744 532 C CB -0.522 27.172 27.740 -0.078 0.000 1.989 532 C HN 0.350 nan 8.230 nan 0.000 0.491 533 V N 1.396 121.256 119.914 -0.090 0.000 2.270 533 V HA -0.154 3.986 4.120 0.033 0.000 0.245 533 V C 2.717 178.812 176.094 0.001 0.000 1.043 533 V CA 2.199 64.475 62.300 -0.041 0.000 1.014 533 V CB -1.384 30.434 31.823 -0.008 0.000 0.645 533 V HN 0.571 nan 8.190 nan 0.000 0.447 534 A N 0.999 123.819 122.820 -0.001 0.000 1.845 534 A HA -0.273 4.067 4.320 0.033 0.000 0.215 534 A C 2.240 179.841 177.584 0.028 0.000 1.195 534 A CA 2.483 54.536 52.037 0.026 0.000 0.616 534 A CB -0.599 18.412 19.000 0.018 0.000 0.832 534 A HN 0.545 nan 8.150 nan 0.000 0.443 535 K N 0.127 120.535 120.400 0.013 0.000 2.147 535 K HA -0.025 4.315 4.320 0.033 0.000 0.205 535 K C 1.744 178.358 176.600 0.023 0.000 1.049 535 K CA 2.037 58.333 56.287 0.016 0.000 0.936 535 K CB -0.964 31.534 32.500 -0.004 0.000 0.722 535 K HN 0.285 nan 8.250 nan 0.000 0.446 536 G N -0.332 108.473 108.800 0.007 0.000 2.448 536 G HA2 -0.110 3.870 3.960 0.033 0.000 0.218 536 G HA3 -0.110 3.870 3.960 0.033 0.000 0.218 536 G C 1.585 176.472 174.900 -0.022 0.000 1.135 536 G CA 0.583 45.692 45.100 0.015 0.000 0.784 536 G HN 0.452 nan 8.290 nan 0.000 0.543 537 A N 0.169 122.967 122.820 -0.037 0.000 2.014 537 A HA 0.231 4.571 4.320 0.033 0.000 0.218 537 A C 2.227 179.854 177.584 0.072 0.000 1.163 537 A CA 1.262 53.263 52.037 -0.059 0.000 0.652 537 A CB -0.213 18.813 19.000 0.043 0.000 0.808 537 A HN 0.381 nan 8.150 nan 0.000 0.449 538 L N -0.167 121.089 121.223 0.054 0.000 2.095 538 L HA -0.013 4.347 4.340 0.033 0.000 0.204 538 L C 1.308 178.183 176.870 0.008 0.000 1.080 538 L CA 2.274 57.145 54.840 0.052 0.000 0.759 538 L CB -0.497 41.595 42.059 0.055 0.000 0.914 538 L HN 0.260 nan 8.230 nan 0.000 0.439 539 D N -0.502 119.916 120.400 0.031 0.000 2.269 539 D HA -0.076 4.584 4.640 0.033 0.000 0.208 539 D C 0.998 177.223 176.300 -0.125 0.000 0.963 539 D CA 0.649 54.686 54.000 0.061 0.000 0.864 539 D CB -0.156 40.775 40.800 0.219 0.000 0.936 539 D HN 0.158 nan 8.370 nan 0.000 0.505 540 R N 1.337 121.670 120.500 -0.279 0.000 2.419 540 R HA 0.112 4.471 4.340 0.033 0.000 0.305 540 R C -0.439 175.388 176.300 -0.787 0.000 1.242 540 R CA -0.071 55.522 56.100 -0.845 0.000 1.105 540 R CB -0.220 29.854 30.300 -0.377 0.000 1.116 540 R HN -0.059 nan 8.270 nan 0.000 0.523 541 T N 1.792 115.679 114.554 -1.112 0.000 3.688 541 T HA 0.196 4.566 4.350 0.033 0.000 0.307 541 T C -0.189 174.001 174.700 -0.851 0.000 1.382 541 T CA -0.494 60.955 62.100 -1.084 0.000 1.136 541 T CB -0.329 67.834 68.868 -1.174 0.000 1.207 541 T HN 0.776 nan 8.240 nan 0.000 0.854 542 E N -0.150 119.696 120.200 -0.590 0.000 2.427 542 E HA 0.495 4.865 4.350 0.033 0.000 0.279 542 E C -1.720 174.703 176.600 -0.296 0.000 1.120 542 E CA -1.182 55.040 56.400 -0.296 0.000 0.869 542 E CB 0.495 29.984 29.700 -0.352 0.000 1.393 542 E HN 0.059 nan 8.360 nan 0.000 0.443 543 S N 0.163 115.763 115.700 -0.166 0.000 2.707 543 S HA 0.539 5.029 4.470 0.033 0.000 0.312 543 S C -1.060 173.479 174.600 -0.102 0.000 1.116 543 S CA -0.657 57.441 58.200 -0.171 0.000 1.078 543 S CB 0.842 64.002 63.200 -0.067 0.000 0.997 543 S HN 0.451 nan 8.310 nan 0.000 0.477 544 R N 2.127 122.558 120.500 -0.115 0.000 2.574 544 R HA 0.604 4.964 4.340 0.033 0.000 0.288 544 R C 0.880 177.222 176.300 0.071 0.000 1.004 544 R CA 0.278 56.304 56.100 -0.123 0.000 0.895 544 R CB 1.009 31.034 30.300 -0.458 0.000 1.191 544 R HN 0.801 nan 8.270 nan 0.000 0.444 545 G N 2.405 111.296 108.800 0.152 0.000 2.685 545 G HA2 -0.473 3.507 3.960 0.033 0.000 0.329 545 G HA3 -0.473 3.507 3.960 0.033 0.000 0.329 545 G C 0.770 175.836 174.900 0.277 0.000 1.271 545 G CA 0.749 46.023 45.100 0.289 0.000 1.003 545 G HN 0.871 nan 8.290 nan 0.000 0.549 546 A N -0.545 122.469 122.820 0.324 0.000 2.167 546 A HA 0.205 4.545 4.320 0.033 0.000 0.214 546 A C 1.236 179.002 177.584 0.302 0.000 1.151 546 A CA 1.522 53.716 52.037 0.262 0.000 0.735 546 A CB -0.371 18.778 19.000 0.250 0.000 0.802 546 A HN 0.899 nan 8.150 nan 0.000 0.467 547 H N 1.697 120.920 119.070 0.255 0.000 2.846 547 H HA 0.178 4.754 4.556 0.033 0.000 0.278 547 H C -1.004 174.383 175.328 0.100 0.000 1.117 547 H CA -0.527 55.638 56.048 0.196 0.000 1.406 547 H CB 0.015 29.930 29.762 0.255 0.000 1.445 547 H HN 0.295 nan 8.280 nan 0.000 0.469 548 N N 5.551 124.241 118.700 -0.017 0.000 2.476 548 N HA 0.155 4.915 4.740 0.033 0.000 0.257 548 N C -0.613 174.843 175.510 -0.089 0.000 0.970 548 N CA -0.662 52.352 53.050 -0.061 0.000 0.938 548 N CB 1.422 39.939 38.487 0.050 0.000 1.144 548 N HN 0.476 nan 8.380 nan 0.000 0.500 549 R N 1.874 122.259 120.500 -0.190 0.000 2.215 549 R HA 0.162 4.522 4.340 0.033 0.000 0.337 549 R C 1.058 177.384 176.300 0.043 0.000 1.010 549 R CA -0.263 55.794 56.100 -0.072 0.000 0.871 549 R CB 0.742 30.971 30.300 -0.118 0.000 1.134 549 R HN 0.622 nan 8.270 nan 0.000 0.477 550 E N 1.070 121.305 120.200 0.059 0.000 2.118 550 E HA -0.223 4.147 4.350 0.033 0.000 0.195 550 E C 0.524 177.113 176.600 -0.017 0.000 0.992 550 E CA 1.783 58.182 56.400 -0.001 0.000 0.804 550 E CB 0.289 29.951 29.700 -0.063 0.000 0.741 550 E HN 0.562 nan 8.360 nan 0.000 0.458 551 D N -0.858 119.560 120.400 0.029 0.000 2.363 551 D HA -0.142 4.518 4.640 0.033 0.000 0.226 551 D C -0.063 176.042 176.300 -0.324 0.000 1.020 551 D CA 0.592 54.542 54.000 -0.084 0.000 0.892 551 D CB -0.199 40.610 40.800 0.015 0.000 0.900 551 D HN 0.253 nan 8.370 nan 0.000 0.531 552 Y N -0.407 119.862 120.300 -0.051 0.000 2.569 552 Y HA 0.243 4.813 4.550 0.033 0.000 0.310 552 Y C -1.805 174.054 175.900 -0.070 0.000 1.021 552 Y CA -1.902 56.163 58.100 -0.059 0.000 1.152 552 Y CB 1.402 39.809 38.460 -0.089 0.000 1.140 552 Y HN -0.139 nan 8.280 nan 0.000 0.621 553 P HA -0.192 nan 4.420 nan 0.000 0.218 553 P C -0.134 177.187 177.300 0.036 0.000 1.146 553 P CA 1.318 64.432 63.100 0.023 0.000 0.813 553 P CB 0.582 32.281 31.700 -0.000 0.000 0.778 554 K N 0.550 120.979 120.400 0.047 0.000 2.174 554 K HA 0.259 4.599 4.320 0.033 0.000 0.275 554 K C 0.621 177.268 176.600 0.078 0.000 1.015 554 K CA -0.747 55.579 56.287 0.065 0.000 0.933 554 K CB 1.164 33.697 32.500 0.056 0.000 1.025 554 K HN -0.101 nan 8.250 nan 0.000 0.463 555 R N 2.438 122.999 120.500 0.102 0.000 2.296 555 R HA -0.029 4.331 4.340 0.033 0.000 0.323 555 R C -0.671 175.711 176.300 0.137 0.000 1.067 555 R CA -0.155 55.997 56.100 0.086 0.000 0.946 555 R CB 0.385 30.739 30.300 0.089 0.000 0.991 555 R HN 0.544 nan 8.270 nan 0.000 0.448 556 D N 3.789 124.276 120.400 0.145 0.000 2.441 556 D HA 0.036 4.696 4.640 0.033 0.000 0.221 556 D C -0.369 176.043 176.300 0.186 0.000 1.156 556 D CA -0.224 53.901 54.000 0.208 0.000 0.896 556 D CB 0.998 42.016 40.800 0.363 0.000 1.028 556 D HN 0.511 nan 8.370 nan 0.000 0.509 557 D N 2.741 123.219 120.400 0.129 0.000 2.363 557 D HA 0.038 4.698 4.640 0.033 0.000 0.220 557 D C 1.756 178.082 176.300 0.043 0.000 0.994 557 D CA 0.309 54.353 54.000 0.074 0.000 0.890 557 D CB 0.559 41.383 40.800 0.040 0.000 0.906 557 D HN 0.543 nan 8.370 nan 0.000 0.530 558 I N 0.128 120.723 120.570 0.042 0.000 2.385 558 I HA -0.077 4.113 4.170 0.033 0.000 0.244 558 I C 1.595 177.662 176.117 -0.083 0.000 1.089 558 I CA 0.531 61.825 61.300 -0.011 0.000 1.410 558 I CB 0.107 38.106 38.000 -0.003 0.000 1.117 558 I HN -0.092 nan 8.210 nan 0.000 0.429 559 N N -0.911 117.714 118.700 -0.126 0.000 2.325 559 N HA 0.001 4.761 4.740 0.033 0.000 0.182 559 N C 0.473 175.523 175.510 -0.766 0.000 1.088 559 N CA 0.584 53.373 53.050 -0.435 0.000 0.879 559 N CB 0.475 38.671 38.487 -0.485 0.000 0.983 559 N HN 0.373 nan 8.380 nan 0.000 0.471 560 W N 0.465 121.732 121.300 -0.056 0.000 2.467 560 W HA 0.364 5.044 4.660 0.033 0.000 0.369 560 W C 0.181 176.690 176.519 -0.016 0.000 0.938 560 W CA -0.517 56.793 57.345 -0.058 0.000 1.845 560 W CB 0.102 29.518 29.460 -0.075 0.000 1.167 560 W HN -0.157 nan 8.180 nan 0.000 0.558 561 L N 3.791 125.086 121.223 0.119 0.000 2.533 561 L HA 0.233 4.593 4.340 0.033 0.000 0.239 561 L C 0.434 177.386 176.870 0.137 0.000 1.376 561 L CA 0.595 55.507 54.840 0.120 0.000 1.240 561 L CB -1.566 40.533 42.059 0.066 0.000 1.487 561 L HN 0.173 nan 8.230 nan 0.000 0.419 562 N N 0.449 119.279 118.700 0.217 0.000 3.343 562 N HA 0.520 5.280 4.740 0.033 0.000 0.330 562 N C -1.116 174.614 175.510 0.367 0.000 1.560 562 N CA -1.193 52.008 53.050 0.252 0.000 0.752 562 N CB 1.354 39.977 38.487 0.227 0.000 1.863 562 N HN 0.136 nan 8.380 nan 0.000 0.636 563 R N 0.404 121.120 120.500 0.359 0.000 2.532 563 R HA 0.286 4.645 4.340 0.033 0.000 0.297 563 R C -1.293 175.165 176.300 0.263 0.000 0.984 563 R CA -0.325 55.972 56.100 0.328 0.000 0.884 563 R CB 1.893 32.312 30.300 0.198 0.000 1.182 563 R HN 0.611 nan 8.270 nan 0.000 0.442 564 T N 5.454 120.151 114.554 0.238 0.000 2.870 564 T HA 0.236 4.606 4.350 0.033 0.000 0.300 564 T C -0.051 174.574 174.700 -0.126 0.000 0.989 564 T CA 0.071 62.139 62.100 -0.053 0.000 1.139 564 T CB 0.271 69.171 68.868 0.053 0.000 0.920 564 T HN 0.325 nan 8.240 nan 0.000 0.537 565 L N 3.038 124.107 121.223 -0.256 0.000 2.342 565 L HA 0.628 4.988 4.340 0.033 0.000 0.276 565 L C 0.242 177.016 176.870 -0.160 0.000 0.997 565 L CA -1.021 53.726 54.840 -0.155 0.000 0.838 565 L CB 1.282 43.270 42.059 -0.118 0.000 1.224 565 L HN 0.660 nan 8.230 nan 0.000 0.416 566 A N 2.816 125.573 122.820 -0.107 0.000 2.306 566 A HA 0.867 5.207 4.320 0.033 0.000 0.314 566 A C -0.062 177.500 177.584 -0.036 0.000 1.164 566 A CA -0.317 51.674 52.037 -0.077 0.000 0.822 566 A CB 1.228 20.195 19.000 -0.056 0.000 1.130 566 A HN 0.705 nan 8.150 nan 0.000 0.496 567 S N 0.629 116.322 115.700 -0.013 0.000 2.638 567 S HA 0.725 5.215 4.470 0.033 0.000 0.274 567 S C -1.140 173.527 174.600 0.112 0.000 1.157 567 S CA -0.498 57.723 58.200 0.035 0.000 0.826 567 S CB 1.418 64.612 63.200 -0.009 0.000 1.139 567 S HN 1.049 nan 8.310 nan 0.000 0.474 568 W N 2.674 123.927 121.300 -0.079 0.000 1.375 568 W HA 0.330 5.011 4.660 0.035 0.000 0.310 568 W C -2.573 173.918 176.519 -0.047 0.000 0.887 568 W CA -1.757 55.546 57.345 -0.069 0.000 1.672 568 W CB 1.335 30.744 29.460 -0.084 0.000 1.824 568 W HN 0.684 nan 8.180 nan 0.000 0.448 569 P HA -0.163 nan 4.420 nan 0.000 0.218 569 P C 0.396 177.751 177.300 0.092 0.000 1.148 569 P CA 1.410 64.553 63.100 0.071 0.000 0.822 569 P CB 0.327 32.034 31.700 0.011 0.000 0.784 570 N N 0.065 118.809 118.700 0.073 0.000 2.444 570 N HA 0.135 4.895 4.740 0.033 0.000 0.262 570 N C -1.703 173.938 175.510 0.218 0.000 0.974 570 N CA -2.296 50.807 53.050 0.088 0.000 0.933 570 N CB 1.785 40.277 38.487 0.008 0.000 1.137 570 N HN -0.103 nan 8.380 nan 0.000 0.498 571 P HA -0.092 nan 4.420 nan 0.000 0.225 571 P C 0.237 177.702 177.300 0.275 0.000 1.148 571 P CA 1.206 64.463 63.100 0.260 0.000 0.779 571 P CB 0.549 32.324 31.700 0.125 0.000 0.780 572 E N -0.018 120.293 120.200 0.184 0.000 2.371 572 E HA -0.048 4.322 4.350 0.033 0.000 0.194 572 E C 1.204 177.899 176.600 0.157 0.000 1.012 572 E CA -0.079 56.413 56.400 0.152 0.000 0.860 572 E CB -0.094 29.655 29.700 0.081 0.000 0.811 572 E HN 0.549 nan 8.360 nan 0.000 0.502 573 Q N 0.925 120.787 119.800 0.102 0.000 2.454 573 Q HA 0.076 4.436 4.340 0.033 0.000 0.247 573 Q C 0.466 176.499 176.000 0.055 0.000 1.028 573 Q CA 0.678 56.451 55.803 -0.050 0.000 0.910 573 Q CB 0.538 29.087 28.738 -0.315 0.000 1.276 573 Q HN -0.067 nan 8.270 nan 0.000 0.489 574 T N -0.679 113.863 114.554 -0.020 0.000 3.044 574 T HA 0.378 4.748 4.350 0.033 0.000 0.260 574 T C 0.323 174.966 174.700 -0.096 0.000 1.019 574 T CA -0.307 61.870 62.100 0.128 0.000 0.921 574 T CB 0.158 69.141 68.868 0.192 0.000 1.053 574 T HN 0.436 nan 8.240 nan 0.000 0.533 575 L N 2.036 122.981 121.223 -0.465 0.000 2.422 575 L HA 0.547 4.907 4.340 0.033 0.000 0.264 575 L C -2.593 173.718 176.870 -0.931 0.000 0.984 575 L CA -2.772 51.774 54.840 -0.491 0.000 0.819 575 L CB 2.853 44.769 42.059 -0.238 0.000 1.330 575 L HN -0.145 nan 8.230 nan 0.000 0.410 576 P HA 0.051 nan 4.420 nan 0.000 0.270 576 P C -0.687 176.394 177.300 -0.365 0.000 1.223 576 P CA -0.117 62.659 63.100 -0.541 0.000 0.785 576 P CB 0.704 32.357 31.700 -0.078 0.000 0.923 577 T N 2.919 117.302 114.554 -0.285 0.000 2.749 577 T HA 0.444 4.814 4.350 0.033 0.000 0.287 577 T C 0.162 174.783 174.700 -0.131 0.000 0.970 577 T CA -0.326 61.660 62.100 -0.189 0.000 0.980 577 T CB -0.024 68.743 68.868 -0.168 0.000 0.924 577 T HN 0.183 nan 8.240 nan 0.000 0.456 578 L N 3.385 124.541 121.223 -0.112 0.000 2.331 578 L HA 0.690 5.050 4.340 0.033 0.000 0.275 578 L C 0.390 177.149 176.870 -0.184 0.000 1.022 578 L CA -0.839 53.903 54.840 -0.163 0.000 0.812 578 L CB 1.592 43.570 42.059 -0.134 0.000 1.257 578 L HN 0.570 nan 8.230 nan 0.000 0.435 579 E N 0.730 120.719 120.200 -0.352 0.000 2.456 579 E HA 0.553 4.923 4.350 0.033 0.000 0.276 579 E C -1.907 174.344 176.600 -0.582 0.000 0.981 579 E CA -0.812 55.437 56.400 -0.251 0.000 0.814 579 E CB 2.741 32.379 29.700 -0.103 0.000 1.382 579 E HN 0.295 nan 8.360 nan 0.000 0.459 580 Y N 0.312 120.633 120.300 0.035 0.000 2.442 580 Y HA 0.290 4.860 4.550 0.033 0.000 0.344 580 Y C -0.474 175.447 175.900 0.035 0.000 0.976 580 Y CA -0.815 57.316 58.100 0.052 0.000 1.040 580 Y CB 2.033 40.515 38.460 0.035 0.000 1.228 580 Y HN 0.391 nan 8.280 nan 0.000 0.451 581 E N 2.180 122.482 120.200 0.170 0.000 2.113 581 E HA 0.718 5.088 4.350 0.033 0.000 0.273 581 E C -1.077 175.606 176.600 0.139 0.000 0.924 581 E CA -0.798 55.672 56.400 0.116 0.000 0.764 581 E CB 0.907 30.657 29.700 0.084 0.000 1.104 581 E HN 0.776 nan 8.360 nan 0.000 0.406 582 A N 5.390 128.270 122.820 0.100 0.000 2.363 582 A HA 0.326 4.666 4.320 0.033 0.000 0.270 582 A C -0.213 177.421 177.584 0.083 0.000 1.121 582 A CA -0.468 51.618 52.037 0.082 0.000 0.800 582 A CB 0.294 19.318 19.000 0.040 0.000 1.052 582 A HN 0.754 nan 8.150 nan 0.000 0.493 583 L N 2.556 123.836 121.223 0.096 0.000 2.283 583 L HA 0.176 4.536 4.340 0.033 0.000 0.287 583 L C -0.094 176.819 176.870 0.073 0.000 1.073 583 L CA -0.524 54.374 54.840 0.097 0.000 0.822 583 L CB 0.710 42.847 42.059 0.129 0.000 1.186 583 L HN 0.736 nan 8.230 nan 0.000 0.436 584 D N 2.983 123.421 120.400 0.062 0.000 2.344 584 D HA 0.081 4.740 4.640 0.033 0.000 0.253 584 D C 1.009 177.342 176.300 0.055 0.000 1.255 584 D CA -0.274 53.754 54.000 0.048 0.000 0.894 584 D CB 1.418 42.242 40.800 0.039 0.000 1.067 584 D HN 0.247 nan 8.370 nan 0.000 0.492 585 V N 4.286 124.228 119.914 0.047 0.000 2.380 585 V HA -0.294 3.846 4.120 0.033 0.000 0.251 585 V C 1.981 178.104 176.094 0.049 0.000 1.063 585 V CA 1.817 64.146 62.300 0.048 0.000 1.055 585 V CB -0.812 31.023 31.823 0.019 0.000 0.657 585 V HN 0.686 nan 8.190 nan 0.000 0.455 586 N N -0.365 118.358 118.700 0.038 0.000 2.519 586 N HA -0.155 4.605 4.740 0.033 0.000 0.186 586 N C 1.373 176.908 175.510 0.043 0.000 1.062 586 N CA 0.776 53.847 53.050 0.035 0.000 0.910 586 N CB -0.014 38.488 38.487 0.026 0.000 0.958 586 N HN 0.633 nan 8.380 nan 0.000 0.445 587 E N -0.151 120.079 120.200 0.051 0.000 2.501 587 E HA 0.151 4.521 4.350 0.033 0.000 0.201 587 E C -0.258 176.388 176.600 0.078 0.000 1.016 587 E CA -0.101 56.332 56.400 0.054 0.000 0.920 587 E CB 0.505 30.232 29.700 0.044 0.000 1.023 587 E HN 0.308 nan 8.360 nan 0.000 0.474 588 M N 0.965 120.623 119.600 0.098 0.000 2.188 588 M HA 0.113 4.613 4.480 0.033 0.000 0.357 588 M C 1.105 177.497 176.300 0.154 0.000 1.204 588 M CA 0.092 55.479 55.300 0.145 0.000 1.095 588 M CB 1.499 34.205 32.600 0.176 0.000 1.604 588 M HN -0.042 nan 8.290 nan 0.000 0.464 589 E N 3.216 123.537 120.200 0.202 0.000 2.285 589 E HA 0.054 4.424 4.350 0.033 0.000 0.194 589 E C -0.293 176.450 176.600 0.238 0.000 0.997 589 E CA 0.726 57.241 56.400 0.192 0.000 0.845 589 E CB 0.482 30.290 29.700 0.181 0.000 0.782 589 E HN 0.596 nan 8.360 nan 0.000 0.491 590 I N 1.277 122.024 120.570 0.296 0.000 2.447 590 I HA 0.313 4.503 4.170 0.033 0.000 0.287 590 I C -0.384 175.954 176.117 0.367 0.000 1.023 590 I CA -0.880 60.615 61.300 0.325 0.000 1.083 590 I CB 1.805 40.015 38.000 0.350 0.000 1.245 590 I HN -0.044 nan 8.210 nan 0.000 0.434 591 A N 7.718 130.650 122.820 0.187 0.000 2.371 591 A HA 0.569 4.909 4.320 0.033 0.000 0.257 591 A C -2.454 174.900 177.584 -0.383 0.000 1.089 591 A CA -1.277 50.753 52.037 -0.012 0.000 0.794 591 A CB -0.279 18.696 19.000 -0.041 0.000 1.029 591 A HN 0.408 nan 8.150 nan 0.000 0.488 592 P HA 0.236 nan 4.420 nan 0.000 0.261 592 P C 0.529 177.033 177.300 -1.327 0.000 1.183 592 P CA 1.139 63.179 63.100 -1.768 0.000 0.761 592 P CB 0.747 31.907 31.700 -0.900 0.000 0.785 593 G N 2.187 109.864 108.800 -1.872 0.000 3.003 593 G HA2 0.309 4.289 3.960 0.033 0.000 0.243 593 G HA3 0.309 4.289 3.960 0.033 0.000 0.243 593 G C -1.665 172.824 174.900 -0.685 0.000 1.176 593 G CA -0.272 44.326 45.100 -0.838 0.000 0.812 593 G HN 0.308 nan 8.290 nan 0.000 0.584 594 Y N 1.937 122.137 120.300 -0.165 0.000 2.346 594 Y HA 0.391 4.961 4.550 0.033 0.000 0.330 594 Y C 2.152 178.186 175.900 0.224 0.000 1.178 594 Y CA -0.441 57.684 58.100 0.043 0.000 1.331 594 Y CB 1.176 39.723 38.460 0.145 0.000 1.253 594 Y HN 0.538 nan 8.280 nan 0.000 0.529 595 R N 2.595 122.828 120.500 -0.445 0.000 2.246 595 R HA 0.276 4.636 4.340 0.033 0.000 0.199 595 R C 1.127 177.107 176.300 -0.533 0.000 0.984 595 R CA 0.878 56.759 56.100 -0.365 0.000 1.015 595 R CB -0.018 30.043 30.300 -0.397 0.000 0.930 595 R HN 0.988 nan 8.270 nan 0.000 0.475 596 G N 0.792 108.842 108.800 -1.249 0.000 2.424 596 G HA2 -0.279 3.701 3.960 0.033 0.000 0.207 596 G HA3 -0.279 3.701 3.960 0.033 0.000 0.207 596 G C 0.041 174.835 174.900 -0.176 0.000 1.061 596 G CA 0.055 44.845 45.100 -0.516 0.000 0.657 596 G HN 0.508 nan 8.290 nan 0.000 0.508 597 Y N -0.040 120.107 120.300 -0.254 0.000 2.496 597 Y HA 0.662 5.232 4.550 0.033 0.000 0.331 597 Y C 0.923 176.863 175.900 0.067 0.000 1.140 597 Y CA -0.729 57.350 58.100 -0.036 0.000 1.166 597 Y CB 1.538 39.966 38.460 -0.054 0.000 1.249 597 Y HN 1.799 nan 8.280 nan 0.000 0.479 598 G N 0.387 109.297 108.800 0.184 0.000 2.760 598 G HA2 0.185 4.165 3.960 0.033 0.000 0.246 598 G HA3 0.185 4.165 3.960 0.033 0.000 0.246 598 G C -0.097 174.919 174.900 0.195 0.000 1.359 598 G CA -0.470 44.715 45.100 0.140 0.000 0.861 598 G HN 1.596 nan 8.290 nan 0.000 0.541 599 A N -0.250 122.656 122.820 0.143 0.000 2.504 599 A HA 0.497 4.837 4.320 0.033 0.000 0.242 599 A C 0.817 178.481 177.584 0.134 0.000 1.100 599 A CA 1.590 53.694 52.037 0.112 0.000 0.786 599 A CB 0.108 19.154 19.000 0.077 0.000 1.050 599 A HN 0.938 nan 8.150 nan 0.000 0.512 600 K N -0.985 119.410 120.400 -0.009 0.000 2.267 600 K HA 0.548 4.888 4.320 0.033 0.000 0.246 600 K C 0.685 177.217 176.600 -0.113 0.000 0.954 600 K CA -0.197 55.985 56.287 -0.174 0.000 0.824 600 K CB 1.653 33.938 32.500 -0.357 0.000 1.167 600 K HN 1.523 nan 8.250 nan 0.000 0.431 601 G N 1.299 110.015 108.800 -0.141 0.000 2.233 601 G HA2 -0.344 3.636 3.960 0.033 0.000 0.270 601 G HA3 -0.344 3.636 3.960 0.033 0.000 0.270 601 G C 0.094 174.872 174.900 -0.202 0.000 1.011 601 G CA 0.702 45.638 45.100 -0.273 0.000 0.762 601 G HN 0.851 nan 8.290 nan 0.000 0.511 602 N N -0.142 118.564 118.700 0.010 0.000 2.597 602 N HA 0.379 5.139 4.740 0.033 0.000 0.269 602 N C -0.297 175.314 175.510 0.168 0.000 1.204 602 N CA -0.284 52.807 53.050 0.067 0.000 0.947 602 N CB -0.022 38.531 38.487 0.110 0.000 1.258 602 N HN 0.675 nan 8.380 nan 0.000 0.508 603 Y N -2.051 118.252 120.300 0.006 0.000 2.399 603 Y HA 0.415 4.985 4.550 0.033 0.000 0.327 603 Y C -1.124 174.772 175.900 -0.008 0.000 1.111 603 Y CA -1.367 56.735 58.100 0.003 0.000 1.047 603 Y CB 0.070 38.530 38.460 -0.000 0.000 1.259 603 Y HN -0.205 nan 8.280 nan 0.000 0.434 604 I N 3.679 124.320 120.570 0.119 0.000 2.574 604 I HA 0.011 4.201 4.170 0.033 0.000 0.291 604 I C 0.651 176.841 176.117 0.121 0.000 1.131 604 I CA 0.416 61.750 61.300 0.057 0.000 1.352 604 I CB -0.067 37.979 38.000 0.076 0.000 1.431 604 I HN 0.724 nan 8.210 nan 0.000 0.543 605 E N 6.149 126.381 120.200 0.053 0.000 2.414 605 E HA -0.058 4.312 4.350 0.033 0.000 0.263 605 E C 0.006 176.641 176.600 0.058 0.000 1.000 605 E CA -0.241 56.231 56.400 0.120 0.000 0.914 605 E CB 0.527 30.242 29.700 0.026 0.000 0.948 605 E HN 0.529 nan 8.360 nan 0.000 0.444 606 N N 5.291 124.019 118.700 0.046 0.000 2.426 606 N HA 0.135 4.895 4.740 0.033 0.000 0.275 606 N C -1.800 173.708 175.510 -0.002 0.000 1.019 606 N CA -1.991 51.065 53.050 0.010 0.000 0.941 606 N CB 1.480 39.963 38.487 -0.006 0.000 1.123 606 N HN 0.372 nan 8.380 nan 0.000 0.486 607 P HA -0.137 nan 4.420 nan 0.000 0.216 607 P C 1.325 178.620 177.300 -0.010 0.000 1.150 607 P CA 0.963 64.058 63.100 -0.008 0.000 0.837 607 P CB 0.456 32.150 31.700 -0.010 0.000 0.786 608 L N -0.313 120.903 121.223 -0.011 0.000 2.362 608 L HA -0.054 4.306 4.340 0.033 0.000 0.219 608 L C 2.648 179.509 176.870 -0.015 0.000 1.134 608 L CA 1.370 56.205 54.840 -0.010 0.000 0.807 608 L CB -1.349 40.706 42.059 -0.007 0.000 0.927 608 L HN -0.070 nan 8.230 nan 0.000 0.447 609 S N -0.837 114.846 115.700 -0.028 0.000 2.345 609 S HA -0.135 4.355 4.470 0.033 0.000 0.220 609 S C 2.101 176.682 174.600 -0.032 0.000 1.031 609 S CA 1.353 59.522 58.200 -0.051 0.000 0.996 609 S CB -0.345 62.801 63.200 -0.090 0.000 0.882 609 S HN 0.223 nan 8.310 nan 0.000 0.445 610 V N 2.601 122.504 119.914 -0.019 0.000 2.287 610 V HA -0.217 3.923 4.120 0.033 0.000 0.248 610 V C 2.491 178.584 176.094 -0.003 0.000 1.053 610 V CA 1.828 64.123 62.300 -0.008 0.000 1.027 610 V CB -0.658 31.162 31.823 -0.005 0.000 0.646 610 V HN 0.431 nan 8.190 nan 0.000 0.447 611 K N 0.369 120.767 120.400 -0.003 0.000 2.009 611 K HA -0.288 4.051 4.320 0.033 0.000 0.210 611 K C 2.396 179.000 176.600 0.006 0.000 1.049 611 K CA 2.165 58.453 56.287 0.002 0.000 0.929 611 K CB -0.193 32.307 32.500 0.001 0.000 0.714 611 K HN 0.269 nan 8.250 nan 0.000 0.440 612 R N 1.357 121.861 120.500 0.006 0.000 2.081 612 R HA -0.170 4.190 4.340 0.033 0.000 0.235 612 R C 2.280 178.592 176.300 0.020 0.000 1.131 612 R CA 2.005 58.113 56.100 0.014 0.000 0.960 612 R CB -0.803 29.506 30.300 0.014 0.000 0.856 612 R HN 0.251 nan 8.270 nan 0.000 0.436 613 Q N 0.823 120.630 119.800 0.012 0.000 2.112 613 Q HA -0.195 4.165 4.340 0.033 0.000 0.206 613 Q C 1.611 177.626 176.000 0.025 0.000 0.987 613 Q CA 2.479 58.294 55.803 0.020 0.000 0.858 613 Q CB -0.163 28.580 28.738 0.009 0.000 0.905 613 Q HN 0.645 nan 8.270 nan 0.000 0.420 614 E N 0.055 120.265 120.200 0.018 0.000 2.017 614 E HA -0.226 4.144 4.350 0.033 0.000 0.193 614 E C 2.012 178.625 176.600 0.021 0.000 0.997 614 E CA 1.107 57.517 56.400 0.018 0.000 0.804 614 E CB -0.301 29.407 29.700 0.013 0.000 0.757 614 E HN 0.508 nan 8.360 nan 0.000 0.448 615 E N 0.392 120.605 120.200 0.020 0.000 2.169 615 E HA -0.257 4.113 4.350 0.033 0.000 0.202 615 E C 1.976 178.592 176.600 0.028 0.000 1.016 615 E CA 1.211 57.624 56.400 0.022 0.000 0.817 615 E CB 0.062 29.775 29.700 0.022 0.000 0.736 615 E HN 0.173 nan 8.360 nan 0.000 0.462 616 I N 1.523 122.113 120.570 0.034 0.000 2.162 616 I HA -0.237 3.953 4.170 0.033 0.000 0.238 616 I C 1.981 178.121 176.117 0.038 0.000 1.076 616 I CA 1.292 62.618 61.300 0.043 0.000 1.353 616 I CB -1.402 36.632 38.000 0.056 0.000 1.063 616 I HN 0.150 nan 8.210 nan 0.000 0.408 617 D N 1.097 121.518 120.400 0.035 0.000 2.133 617 D HA -0.241 4.419 4.640 0.033 0.000 0.195 617 D C 2.063 178.378 176.300 0.026 0.000 0.997 617 D CA 1.383 55.402 54.000 0.032 0.000 0.840 617 D CB -0.124 40.693 40.800 0.028 0.000 0.947 617 D HN 0.384 nan 8.370 nan 0.000 0.452 618 K N 0.888 121.302 120.400 0.023 0.000 1.965 618 K HA -0.136 4.204 4.320 0.033 0.000 0.218 618 K C 2.398 179.010 176.600 0.019 0.000 1.048 618 K CA 1.031 57.329 56.287 0.019 0.000 0.960 618 K CB -0.325 32.185 32.500 0.017 0.000 0.732 618 K HN 0.013 nan 8.250 nan 0.000 0.444 619 I N 1.073 121.655 120.570 0.020 0.000 2.236 619 I HA -0.349 3.841 4.170 0.033 0.000 0.249 619 I C 2.841 178.970 176.117 0.020 0.000 1.102 619 I CA 1.471 62.783 61.300 0.020 0.000 1.365 619 I CB -0.378 37.635 38.000 0.022 0.000 1.051 619 I HN 0.503 nan 8.210 nan 0.000 0.420 620 Q N 0.489 120.304 119.800 0.024 0.000 2.016 620 Q HA -0.169 4.190 4.340 0.033 0.000 0.200 620 Q C 2.443 178.455 176.000 0.020 0.000 0.978 620 Q CA 2.092 57.909 55.803 0.024 0.000 0.833 620 Q CB 0.098 28.854 28.738 0.030 0.000 0.895 620 Q HN 0.427 nan 8.270 nan 0.000 0.427 621 S N 0.903 116.615 115.700 0.020 0.000 2.359 621 S HA -0.200 4.289 4.470 0.033 0.000 0.224 621 S C 1.655 176.263 174.600 0.014 0.000 1.035 621 S CA 1.536 59.747 58.200 0.017 0.000 1.018 621 S CB -0.297 62.913 63.200 0.017 0.000 0.876 621 S HN 0.401 nan 8.310 nan 0.000 0.448 622 E N 0.803 121.011 120.200 0.014 0.000 2.085 622 E HA -0.129 4.241 4.350 0.033 0.000 0.194 622 E C 2.029 178.636 176.600 0.012 0.000 0.994 622 E CA 1.079 57.487 56.400 0.012 0.000 0.801 622 E CB -0.297 29.410 29.700 0.012 0.000 0.743 622 E HN 0.438 nan 8.360 nan 0.000 0.453 623 L N 0.388 121.619 121.223 0.013 0.000 2.131 623 L HA -0.094 4.266 4.340 0.033 0.000 0.206 623 L C 2.547 179.424 176.870 0.012 0.000 1.087 623 L CA 0.779 55.626 54.840 0.012 0.000 0.767 623 L CB -0.174 41.893 42.059 0.013 0.000 0.917 623 L HN 0.096 nan 8.230 nan 0.000 0.441 624 E N 0.528 120.735 120.200 0.012 0.000 2.153 624 E HA -0.216 4.154 4.350 0.033 0.000 0.194 624 E C 2.133 178.739 176.600 0.010 0.000 0.988 624 E CA 1.184 57.591 56.400 0.011 0.000 0.811 624 E CB 0.103 29.811 29.700 0.013 0.000 0.746 624 E HN 0.458 nan 8.360 nan 0.000 0.466 625 A N 0.764 123.591 122.820 0.011 0.000 1.903 625 A HA 0.210 4.550 4.320 0.033 0.000 0.213 625 A C 2.161 179.750 177.584 0.009 0.000 1.185 625 A CA 0.862 52.904 52.037 0.009 0.000 0.628 625 A CB -0.336 18.669 19.000 0.009 0.000 0.830 625 A HN 0.305 nan 8.150 nan 0.000 0.446 626 A N -0.203 122.623 122.820 0.009 0.000 2.215 626 A HA 0.414 4.754 4.320 0.033 0.000 0.208 626 A C 1.329 178.919 177.584 0.009 0.000 1.296 626 A CA 0.756 52.798 52.037 0.009 0.000 0.918 626 A CB -1.773 17.233 19.000 0.009 0.000 0.806 626 A HN 1.931 nan 8.150 nan 0.000 0.490 627 G N -0.398 108.408 108.800 0.009 0.000 2.392 627 G HA2 -0.165 3.815 3.960 0.033 0.000 0.256 627 G HA3 -0.165 3.815 3.960 0.033 0.000 0.256 627 G C -0.365 174.542 174.900 0.013 0.000 0.920 627 G CA 0.642 45.748 45.100 0.010 0.000 1.316 627 G HN 0.687 nan 8.290 nan 0.000 0.416 628 K N 1.038 121.446 120.400 0.014 0.000 2.501 628 K HA 0.537 4.877 4.320 0.033 0.000 0.252 628 K C 0.079 176.690 176.600 0.019 0.000 0.934 628 K CA -0.619 55.679 56.287 0.019 0.000 0.797 628 K CB 1.350 33.860 32.500 0.017 0.000 1.270 628 K HN 0.451 nan 8.250 nan 0.000 0.431 629 D N 1.440 121.861 120.400 0.034 0.000 2.361 629 D HA 0.028 4.688 4.640 0.033 0.000 0.239 629 D C 0.878 177.171 176.300 -0.011 0.000 1.200 629 D CA -0.119 53.901 54.000 0.032 0.000 0.915 629 D CB 0.623 41.488 40.800 0.108 0.000 1.170 629 D HN 0.623 nan 8.370 nan 0.000 0.444 630 R N 0.005 120.446 120.500 -0.099 0.000 2.193 630 R HA -0.184 4.175 4.340 0.033 0.000 0.229 630 R C 1.305 177.496 176.300 -0.181 0.000 1.110 630 R CA 0.947 56.953 56.100 -0.157 0.000 0.988 630 R CB -0.693 29.472 30.300 -0.224 0.000 0.871 630 R HN 0.512 nan 8.270 nan 0.000 0.458 631 H N 1.409 120.482 119.070 0.004 0.000 2.284 631 H HA 0.073 4.648 4.556 0.033 0.000 0.304 631 H C 2.378 177.703 175.328 -0.005 0.000 1.069 631 H CA 1.740 57.789 56.048 0.001 0.000 1.327 631 H CB -0.359 29.402 29.762 -0.002 0.000 1.387 631 H HN 0.396 nan 8.280 nan 0.000 0.498 632 A N 1.278 124.171 122.820 0.122 0.000 1.940 632 A HA -0.119 4.221 4.320 0.033 0.000 0.219 632 A C 2.670 180.274 177.584 0.033 0.000 1.176 632 A CA 1.246 53.318 52.037 0.060 0.000 0.631 632 A CB -0.841 18.186 19.000 0.046 0.000 0.814 632 A HN 0.291 nan 8.150 nan 0.000 0.446 633 I N -0.914 119.669 120.570 0.022 0.000 2.226 633 I HA -0.256 3.934 4.170 0.033 0.000 0.245 633 I C 2.834 178.956 176.117 0.009 0.000 1.100 633 I CA 1.495 62.801 61.300 0.011 0.000 1.374 633 I CB -0.355 37.645 38.000 0.001 0.000 1.057 633 I HN 0.402 nan 8.210 nan 0.000 0.413 634 Q N 1.506 121.307 119.800 0.003 0.000 2.030 634 Q HA -0.252 4.108 4.340 0.033 0.000 0.204 634 Q C 1.939 177.953 176.000 0.023 0.000 0.986 634 Q CA 1.928 57.730 55.803 -0.002 0.000 0.843 634 Q CB -0.181 28.555 28.738 -0.003 0.000 0.904 634 Q HN 0.552 nan 8.270 nan 0.000 0.420 635 E N -0.134 120.083 120.200 0.029 0.000 2.171 635 E HA -0.181 4.188 4.350 0.033 0.000 0.197 635 E C 1.743 178.349 176.600 0.010 0.000 0.997 635 E CA 1.098 57.504 56.400 0.010 0.000 0.810 635 E CB -0.123 29.574 29.700 -0.004 0.000 0.738 635 E HN 0.434 nan 8.360 nan 0.000 0.467 636 A N 0.469 123.297 122.820 0.014 0.000 2.016 636 A HA -0.006 4.334 4.320 0.033 0.000 0.217 636 A C 2.039 179.635 177.584 0.020 0.000 1.162 636 A CA 0.575 52.620 52.037 0.014 0.000 0.662 636 A CB -0.126 18.883 19.000 0.015 0.000 0.812 636 A HN 0.105 nan 8.150 nan 0.000 0.450 637 L N -2.232 119.005 121.223 0.023 0.000 2.202 637 L HA 0.308 4.668 4.340 0.033 0.000 0.205 637 L C 1.103 177.996 176.870 0.038 0.000 1.083 637 L CA 0.618 55.477 54.840 0.032 0.000 0.790 637 L CB 0.109 42.190 42.059 0.035 0.000 0.942 637 L HN 0.490 nan 8.230 nan 0.000 0.452 638 M N 1.248 120.869 119.600 0.036 0.000 2.488 638 M HA 0.291 4.791 4.480 0.033 0.000 0.174 638 M C -2.900 173.448 176.300 0.080 0.000 0.963 638 M CA -1.298 54.031 55.300 0.048 0.000 0.900 638 M CB 1.902 34.532 32.600 0.050 0.000 2.927 638 M HN -0.303 nan 8.290 nan 0.000 0.394 639 P HA 0.237 nan 4.420 nan 0.000 0.276 639 P C -1.785 175.551 177.300 0.060 0.000 1.235 639 P CA 0.273 63.385 63.100 0.020 0.000 0.772 639 P CB 0.190 31.873 31.700 -0.029 0.000 0.871 640 Y N 0.216 120.473 120.300 -0.071 0.000 2.659 640 Y HA 0.707 5.277 4.550 0.033 0.000 0.333 640 Y C -0.022 175.847 175.900 -0.052 0.000 1.064 640 Y CA -1.478 56.569 58.100 -0.089 0.000 1.141 640 Y CB 0.844 39.258 38.460 -0.077 0.000 1.316 640 Y HN 0.188 nan 8.280 nan 0.000 0.509 641 E N 1.183 121.427 120.200 0.073 0.000 2.232 641 E HA 0.675 5.045 4.350 0.033 0.000 0.264 641 E C -1.348 175.448 176.600 0.327 0.000 0.973 641 E CA -0.831 55.634 56.400 0.109 0.000 0.849 641 E CB 2.585 32.342 29.700 0.096 0.000 1.198 641 E HN 0.743 nan 8.360 nan 0.000 0.407 642 L N 1.346 122.762 121.223 0.321 0.000 2.643 642 L HA 0.254 4.614 4.340 0.033 0.000 0.257 642 L C -2.638 174.386 176.870 0.257 0.000 0.922 642 L CA -1.827 53.226 54.840 0.354 0.000 0.909 642 L CB 2.681 44.899 42.059 0.265 0.000 1.424 642 L HN 0.212 nan 8.230 nan 0.000 0.422 643 P HA 0.074 nan 4.420 nan 0.000 0.267 643 P C 0.335 177.638 177.300 0.006 0.000 1.200 643 P CA 0.105 63.199 63.100 -0.010 0.000 0.772 643 P CB 0.960 32.559 31.700 -0.168 0.000 0.855 644 A N 4.146 126.950 122.820 -0.027 0.000 1.896 644 A HA -0.326 4.014 4.320 0.033 0.000 0.220 644 A C 2.083 179.595 177.584 -0.120 0.000 1.206 644 A CA 2.536 54.544 52.037 -0.049 0.000 0.647 644 A CB -1.361 17.609 19.000 -0.049 0.000 0.828 644 A HN 0.637 nan 8.150 nan 0.000 0.455 645 K N -1.928 118.323 120.400 -0.248 0.000 2.173 645 K HA -0.203 4.137 4.320 0.033 0.000 0.207 645 K C 0.593 176.852 176.600 -0.568 0.000 1.046 645 K CA 1.938 57.941 56.287 -0.472 0.000 0.929 645 K CB -0.315 31.746 32.500 -0.733 0.000 0.720 645 K HN 0.587 nan 8.250 nan 0.000 0.453 646 Y N -0.296 120.011 120.300 0.012 0.000 2.681 646 Y HA 0.281 4.850 4.550 0.033 0.000 0.267 646 Y C 1.133 177.056 175.900 0.038 0.000 1.166 646 Y CA -0.468 57.650 58.100 0.030 0.000 1.209 646 Y CB 0.480 38.971 38.460 0.053 0.000 1.161 646 Y HN -0.041 nan 8.280 nan 0.000 0.534 647 K N 1.084 121.535 120.400 0.084 0.000 2.296 647 K HA 0.218 4.558 4.320 0.033 0.000 0.200 647 K C 1.132 177.749 176.600 0.028 0.000 1.048 647 K CA 0.426 56.744 56.287 0.052 0.000 0.966 647 K CB 0.034 32.536 32.500 0.004 0.000 0.754 647 K HN 0.262 nan 8.250 nan 0.000 0.466 648 A N 1.439 124.273 122.820 0.024 0.000 2.547 648 A HA 0.042 4.382 4.320 0.033 0.000 0.233 648 A C -0.231 177.363 177.584 0.016 0.000 1.067 648 A CA 0.194 52.234 52.037 0.006 0.000 0.763 648 A CB 0.141 19.145 19.000 0.007 0.000 1.007 648 A HN 0.347 nan 8.150 nan 0.000 0.506 649 R N 0.738 121.227 120.500 -0.017 0.000 2.577 649 R HA 0.209 4.569 4.340 0.033 0.000 0.269 649 R C -0.643 175.667 176.300 0.016 0.000 1.084 649 R CA -0.601 55.493 56.100 -0.011 0.000 1.163 649 R CB 0.382 30.634 30.300 -0.080 0.000 1.100 649 R HN 0.765 nan 8.270 nan 0.000 0.547 650 N N 2.287 121.008 118.700 0.036 0.000 2.485 650 N HA 0.013 4.773 4.740 0.033 0.000 0.243 650 N C -0.557 174.966 175.510 0.023 0.000 0.987 650 N CA -0.193 52.873 53.050 0.026 0.000 0.940 650 N CB 1.352 39.854 38.487 0.024 0.000 1.122 650 N HN 0.552 nan 8.380 nan 0.000 0.509 651 E N 2.717 122.924 120.200 0.011 0.000 2.442 651 E HA 0.009 4.379 4.350 0.033 0.000 0.262 651 E C -0.505 176.100 176.600 0.009 0.000 1.004 651 E CA 0.304 56.710 56.400 0.010 0.000 0.928 651 E CB 0.757 30.459 29.700 0.004 0.000 0.937 651 E HN 0.379 nan 8.360 nan 0.000 0.446 652 R N 2.549 123.057 120.500 0.013 0.000 2.836 652 R HA 0.330 4.690 4.340 0.033 0.000 0.269 652 R C -1.048 175.262 176.300 0.016 0.000 1.010 652 R CA -1.219 54.888 56.100 0.013 0.000 0.930 652 R CB 0.921 31.231 30.300 0.018 0.000 1.218 652 R HN 0.464 nan 8.270 nan 0.000 0.473 653 L N 1.295 122.534 121.223 0.028 0.000 2.477 653 L HA 0.271 4.631 4.340 0.033 0.000 0.272 653 L C 0.567 177.454 176.870 0.029 0.000 1.157 653 L CA 1.476 56.345 54.840 0.048 0.000 0.889 653 L CB 0.600 42.722 42.059 0.106 0.000 1.158 653 L HN 0.900 nan 8.230 nan 0.000 0.473 654 G N 3.105 111.896 108.800 -0.016 0.000 2.467 654 G HA2 -0.188 3.792 3.960 0.033 0.000 0.242 654 G HA3 -0.188 3.792 3.960 0.033 0.000 0.242 654 G C -0.475 174.411 174.900 -0.023 0.000 1.127 654 G CA -0.169 44.904 45.100 -0.044 0.000 0.924 654 G HN 0.656 nan 8.290 nan 0.000 0.499 655 D N 0.687 121.073 120.400 -0.022 0.000 2.454 655 D HA 0.740 5.400 4.640 0.033 0.000 0.247 655 D C 0.476 176.766 176.300 -0.016 0.000 1.129 655 D CA 1.082 55.077 54.000 -0.008 0.000 0.877 655 D CB 1.013 41.815 40.800 0.003 0.000 1.082 655 D HN 1.001 nan 8.370 nan 0.000 0.537 656 K N 0.000 120.390 120.400 -0.016 0.000 2.780 656 K HA 0.000 4.340 4.320 0.033 0.000 0.191 656 K CA 0.000 nan 56.287 nan 0.000 0.838 656 K CB 0.000 nan 32.500 nan 0.000 1.064 656 K HN 0.000 nan 8.250 nan 0.000 0.543